Basic information
- CAS
2577-46-0- Standard SMILES
CC[C@H](C)[C@H](N)C(=O)OC- InChIKey
YXMMTUJDQTVJEN-WDSKDSINSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- L-Isoleucine, methyl ester
- IUPAC
- methyl (2S,3S)-2-amino-3-methylpentanoate
- English name
- Methyl L-isoleucinate
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
2577-46-0Isoleucine methyl esterL-Isoleucine, methyl esterRefChem:149470219-931-0Methyl L-isoleucinate(2S,3S)-methyl 2-amino-3-methylpentanoatemethyl (2S,3S)-2-amino-3-methylpentanoateMFCD07698610L-ISOLEUCINE METHYL ESTER(2S,3S)-2-Amino-3-methyl-pentanoic acid methyl estermethyl isoleucinate
Show more names
IsoLeu-OMeL-Isoleucine methyl(3S)-L-Isoleucine methyl esterMethyl L-isoleucinate USP/EP/BP(3S)-3-Methyl-L-norvaline methyl ester(2S,3S)-methyl 2-amino-3methylpentanoate(2S,3S)-2-Amino-3-methylpentanoic acid methyl ester
Isoleucine, methyl ester, L-H-IsoLeu-OMeEINECS 219-931-0isoleucine, methyl ester(L)-isoleucine methyl esterSCHEMBL76741SCHEMBL7865252CHEMBL1229072
Database identifiers
- CAS
2577-46-0- PubChem CID
- 75735
- DTXSID
DTXSID40948634- ChEMBL
CHEMBL1229072- EC Number
- 219-931-0
- Nikkaji
- J101.394G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 74 °C · 74 °C(Press: 11 Torr)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 7.98 · 7.98±0.39(Predicted)
- Appearance
- Colorless to light yellow Liquid
- optical activity
- 62.85 ° · 62.85°(C=0.50g/100mL, CHCL3, 20°C, 589nm)
- InChI
- 1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3
- InChIKey
- YXMMTUJDQTVJEN-UHFFFAOYSA-N
- SMILES
- O=C(OC)C(C(C)CC)N
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
Safety & regulation
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses(2S,3S)-Methyl 2-Amino-3-methylpentanoate is used in preparation method of polybutylene succinate.
Upstream & downstream products
Downstream products
Suppliers45 total
广州诚创生物科技有限公司18027266590 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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郑州药领医药科技有限公司13526569071 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
Aladdin Scientific[email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
安徽敬同药业股份有限公司13675155016 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
14 records
Compound notes
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