Molecule ID: 6951458

IUPAC Name: (2S,3S)-2-azaniumyl-3-phenylbutanoate

Description: The molecule is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of (2S,3S)-beta-methylphenylalanine; major species at pH 7.3. It is a tautomer of a (2S,3S)-beta-methylphenylalanine.

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

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

InChI: InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: -0.4