Basic information
- CAS
1205-08-9- Standard SMILES
COC(=O)CNC(=O)c1ccccc1- InChIKey
XTKVNQKOTKPCKM-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Overview
Methyl hippurate is a glycine derivative that is the methyl ester of hippuric acid. It has a role as a metabolite. It is a glycine derivative and a methyl ester. It is functionally related to a N-benzoylglycine.
Names & identifiers
- Preferred name
- Methyl hippurate
- IUPAC
- methyl 2-benzamidoacetate
- English name
- Benzoylglycine methyl ester
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
methyl 2-benzamidoacetateMethyl hippurate1205-08-9Methyl N-benzoylglycinateMethyl (benzoylamino)acetateN-Benzoylglycine methyl esterHippuric acid methyl esterHippurate methyl esterN-benzoyl-Glycine methyl esterCHEBI:70869RefChem:817776622-893-1
Show more names
Methylhippuric acidBz-Gly-OMeMetyl hippurateHippuric acid methyl
BENZOYLGLYCINE METHYL ESTERmethyl 2-(phenylformamido)acetateHippuric acid, methyl esterGlycine, N-benzoyl-, methyl esterMFCD00025882Methyl benzoylglycinateMethyl benzoylaminoacetatemethylhippurate
Database identifiers
- CAS
1205-08-9- PubChem CID
- 14566
- DTXSID
DTXSID90152880- ChEMBL
CHEMBL218718- ChEBI
CHEBI:70869- EC Number
- 622-893-1
- Nikkaji
- J103.970I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
LogP0.82
Solubility17.0 mg/mL
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 82 · 82-83℃
- Boiling point
- 382.4 · 382.4±25.0 °C(Predicted)
- Density
- 1.161 · 1.161
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.02 · 13.02±0.46(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesMethyl 2-Benzamidoacetate can be used to prepare heteroaromatic inhibitors of astacin proteinases.
Upstream & downstream products
Downstream products
Suppliers60 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
海蔚化学86-21-51086038 · [email protected]
哈辉（上海）医药技术有限公司021-13472633-721 13472633721 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
GL Biochem(Binhai) Ltd.+86-021-61263370 15301650015 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Additional notes
DefinitionChEBI: A glycine derivative that is the methyl ester of hippuric acid.
Related reactions
2 records
Compound notes
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