Basic information
- CAS
40149-68-6- Standard SMILES
COC(=O)CCC(N)C(=O)OC- InChIKey
YEJSPQZHMWGIGP-UHFFFAOYSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Names & identifiers
- Preferred name
- Dimethyl DL-glutamate
- IUPAC
- dimethyl 2-aminopentanedioate
- English name
- Glutamic acid, dimethyl ester
- Molecular formula
- C7H13NO4
- Molecular weight
- 175.18
Names & synonyms
Dimethyl 2-aminopentanedioateDimethyl DL-glutamate40149-68-61,5-dimethyl 2-aminopentanedioateGlutamic acid, dimethyl esterDL-Glutamic acid, dimethyl esterGlutamic acid, 1,5-dimethyl esterY82B5JJE37UNII-Y82B5JJE371,5-Dimethyl glutamateGlutaminsauredimethylesterDimethyl2-aminopentanedioate
Show more names
Dimethyl D/L-glutamate
NCIOpen2_004629SCHEMBL131049SCHEMBL11057042YEJSPQZHMWGIGP-UHFFFAOYSA-NDTXSID901381402STK290829AKOS003363790AKOS022067885
Database identifiers
- CAS
40149-68-6- PubChem CID
- 416902
- DTXSID
DTXSID901381402- UNII
- Y82B5JJE37
- Nikkaji
- J1.256.807J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 224.3 · 224.3±25.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 6.9 · 6.90±0.35(Predicted)
- FDA UNII
- 82 B5JJE37 · Y82B5JJE37
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
6 records
Compound notes
Loading…