Basic information
- CAS
2353-40-4- Standard SMILES
O=C(O)CCC(NC(=O)c1ccccc1C(=O)O)C(=O)O- InChIKey
QIWKCQDJZPRXNS-UHFFFAOYSA-N- Molecular formula
- C13H13NO7
- Average molar mass
- 295.24 g/mol
- Monoisotopic mass
- 295.06920175
Names & identifiers
- Preferred name
- N-(o-Carboxybenzoyl)-DL-glutamic acid
- IUPAC
- 2-[(2-carboxybenzoyl)amino]pentanedioic acid
- English name
- N-(ORTHO-CARBOXYBENZOYL)-DL-GLUTAMICACID
- Molecular formula
- C13H13NO7
- Molecular weight
- 295.25
Names & synonyms
3184-19-8N-(o-Carboxybenzoyl)-DL-glutamic acid2-(2-Carboxybenzamido)pentanedioic acidDL-Glutamic acid, N-(2-carboxybenzoyl)-2353-40-4NSC113368N-(2-Carboxybenzoyl)glutamic acidN-(o-Carboxybenzoyl)-DL-glutamateo-Carboxybenzoyl-glutamic acid, DL-WU-345NSC 5277712-(1,3-Dioxo-2-isoindolyl)glutaramic acid
Show more names
Glutamic acid, N-(2-carboxybenzoyl)-N-(ORTHO-CARBOXYBENZOYL)-DL-GLUTAMICACID
Glutamic acid, N-(o-carboxybenzoyl)-, DL-2-[(2-carboxybenzoyl)amino]pentanedioic acidGlutamic acid,N-(2-carboxybenzoyl)-Glutaramic acid, 2-(1,3-dioxo-2-isoindolyl)-, DL-NSC 113368starbld0035331SCHEMBL4775100NSC527771
Database identifiers
- CAS
2353-40-4、3184-19-8- PubChem CID
- 4805
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 161 · 161-162 °C
- Boiling point
- 639.892 · 639.892±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.491 · 1.491±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.447 · 3.447±0.36(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…