Molecule ID: 709778

IUPAC Name: (2S)-2-benzamidopropanoic acid

Description: The molecule is an N-acyl-L-alanine resulting from the formal condensation of L-alanine with the carboxy group of benzoic acid. It has a role as a metabolite. It is a N-benzoylalanine and a N-acyl-L-alanine.

SMILES: C[C@H](N=C(O)c1ccccc1)C(=O)O

SELFIES: [C][C@H1][Branch1][=C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 1.2