Molecule ID: 6921435

IUPAC Name: (3S)-3-azaniumyl-3-phenylpropanoate

Description: The molecule is an optically active form of 3-ammonio-3-phenylpropanoate having (S)-configuration. It is an enantiomer of a (R)-3-ammonio-3-phenylpropanoate. It is a tautomer of a (S)-3-amino-3-phenylpropanoic acid.

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

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

InChI: InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: -0.8