Molecule ID: 25201103

IUPAC Name: 3-azaniumyl-2-methylpropanoate

Description: The molecule is zwitterionic form of 3-aminoisobutyric acid arising from migration of a proton from the carboxy group to the amino group; major species at pH 7.3. It is a conjugate acid of a 3-aminoisobutyrate. It is a tautomer of a 3-aminoisobutyric acid.

SMILES: CC(CN)C(=O)O

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

InChI: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: -2.3