Molecule ID: 994

IUPAC Name: 2-amino-3-phenylpropanoic acid

Description: The molecule is an aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. It has a role as a Daphnia magna metabolite. It is an alpha-amino acid and an aromatic amino acid. It contains a benzyl group. It is a conjugate base of a phenylalaninium. It is a conjugate acid of a phenylalaninate.

SMILES: NC(Cc1ccccc1)C(=O)O

SELFIES: [N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -1.5