Basic information
- CAS
31137-74-3- Standard SMILES
C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-]- InChIKey
KRKRAOXTGDJWNI-DMTCNVIQSA-M- Molecular formula
- C6H10NO4-
- Average molar mass
- 160.15 g/mol
- Monoisotopic mass
- 160.0609828
Names & identifiers
- Preferred name
- (2S,4R)-2-azaniumyl-4-methylpentanedioate
- IUPAC
- (2S,4R)-2-azaniumyl-4-methylpentanedioate
- English name
- (2S,4R)-4-Methylglutamic acid
- Molecular formula
- C6H11NO4
- Molecular weight
- 161.16
Names & synonyms
(2S,4R)-2-azaniumyl-4-methylpentanedioateDTXSID20426268RefChem:207156DTXCID4037710231137-74-3SYM 2081(2S,4R)-4-MethylglutamicAci(2S-R)-4-METHYLGLUTAMIC ACID(2S,4R)-4-Methylglutamic acid(4R)- 4-Methyl-L-glutamic AcidL-erythro--Methylglutamic Aciderythro-L-4-Methylglutamic Acid
Show more names
ERYTHRO-4-METHYL-L-GLUTAMIC ACIDL-Glutamic acid, 4-methyl-, (4R)-(2S,4R)-4-METHYLGLUTAMIC ACID USP/EP/BP
Database identifiers
- CAS
31137-74-3- PubChem CID
- 6971091
- DTXSID
DTXSID20426268
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 157
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 287.44 °C · 287.44°C (rough estimate)
- Density
- 1.3482 · 1.3482 (rough estimate)
- refractive index
- 1.423 · 1.4230 (estimate)
- storage temp.
- Store at RT
- solubility
- 2 O: · H2O: >10 mg/mL
- form
- solid
- pka
- 2.34 · 2.34±0.21(Predicted)
- color
- white
- InChI
- InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
- InChIKey
- KRKRAOXTGDJWNI-DMTCNVIQSA-N
- SMILES
- C(O)(=O)[C@H](C[C@@H](C)C(O)=O)N
- CAS DataBase Reference
- 31137 · 31137-74-3(CAS DataBase Reference)
- FDA UNII
- 76 GL74VZ · PQ76GL74VZ
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesA highly selective and potent agonist for kainate receptors.
Upstream & downstream products
Upstream raw materials
Suppliers40 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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