Molecule ID: 439434

IUPAC Name: (2S)-3-amino-2-methylpropanoic acid

Description: The molecule is a beta-amino acid and a 3-aminoisobutyric acid. It has a role as a human metabolite. It is a conjugate acid of a (S)-3-aminoisobutyrate. It is an enantiomer of a (R)-3-aminoisobutyric acid. It is a tautomer of a (S)-3-aminoisobutyric acid zwitterion.

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

SELFIES: [C][C@@H1][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)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -2.9