Molecule ID: 4357428

IUPAC Name: 3-azaniumyl-3-(4-hydroxyphenyl)propanoate

Description: The molecule is zwitterionic form of 3-amino-3-(4-hydroxyphenyl)propanoic acid arising from migration of a proton fron the carboxy to the amino group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a 3-amino-3-(4-hydroxyphenyl)propanoic acid.

SMILES: NC(CC(=O)O)c1ccc(O)cc1

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

InChI: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: -1.1