Basic information
- CAS
66968-12-5- Standard SMILES
O=C(O)C[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)O- InChIKey
AKKFVDLCUFNNJG-QMMMGPOBSA-N- Molecular formula
- C12H11NO7
- Average molar mass
- 281.22 g/mol
- Monoisotopic mass
- 281.05355169
Names & identifiers
- Preferred name
- Aspartic acid, N-phthaloyl-L-
- IUPAC
- (2S)-2-[(2-carboxybenzoyl)amino]butanedioic acid
Names & synonyms
ASPARTIC ACID, N-PHTHALOYL-L-66968-12-5DTXSID70217168N-(2-Carboxybenzoyl)-L-aspartic acid
Database identifiers
- CAS
66968-12-5- PubChem CID
- 3033367
- DTXSID
DTXSID70217168
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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