Basic information
- CAS
29880-25-9- Standard SMILES
NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)O- InChIKey
CNRAIJZCOJXFAK-QMMMGPOBSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
Names & identifiers
- Preferred name
- N-Benzoyl-L-asparagine
- IUPAC
- (2S)-4-amino-2-benzamido-4-oxobutanoic acid
Names & synonyms
N-Benzoyl-l-asparagineRefChem:36320529880-25-9CNRAIJZCOJXFAK-QMMMGPOBSA-N(2S)-3-carbamoyl-2-(phenylformamido)propanoic acidnalpha-benzoyl-l-asparagineBenzoylasparagin(S)-4-Amino-2-benzamido-4-oxobutanoic acidSCHEMBL5191250AKOS001072901EN300-87540Z56886308
Database identifiers
- CAS
29880-25-9- PubChem CID
- 7062826
- Nikkaji
- J1.999.356F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
8 records
Compound notes
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