Molecule ID: 6951134

IUPAC Name: (2S)-2-(methylazaniumyl)-3-phenylpropanoate

Description: The molecule is zwitterionic form of N-methyl-L-phenylalanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of a N-methyl-L-phenylalanine.

SMILES: CN[C@@H](Cc1ccccc1)C(=O)O

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

InChI: InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 56.7 Ų
- LogP: -0.9