Molecule ID: 4739550

IUPAC Name: 3-azaniumyl-3-phenylpropanoate

Description: The molecule is an amino-acid zwitterion arising form transfer of a proton from the carboxy to the amino group of 3-amino-3-phenylpropanoic acid; major species at pH 7.3. It is a tautomer of a 3-amino-3-phenylpropanoic acid.

SMILES: NC(CC(=O)O)c1ccccc1

SELFIES: [N][C][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)

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