Molecule ID: 726854

IUPAC Name: (2S)-2-acetamido-2-phenylacetic acid

Description: The molecule is an N-acyl-L-alpha-amino acid that is L-alpha-phenylglycine in which a hydrogen attached to the nitrogen has been replaced by an acetyl group. It is a N-acyl-L-alpha-amino acid, a glycine derivative and a non-proteinogenic amino acid derivative. It derives from a L-alpha-phenylglycine. It is a conjugate acid of a N-acetyl-L-alpha-phenylglycinate.

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

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

InChI: InChI=1S/C10H11NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,11,12)(H,13,14)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.8