Molecule ID: 6928500

IUPAC Name: (2R)-2-acetamido-3-phenylpropanoate

Description: The molecule is an N-acyl-D-alpha-amino acid anion that is the conjugate base of N-acetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetyl-D-phenylalanine. It is an enantiomer of a N-acetyl-L-phenylalaninate.

SMILES: CC([O-])=N[C@H](Cc1ccccc1)C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 1.3