Molecule ID: 75725

IUPAC Name: 2-methyl-2-(methylamino)propanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group. It has a role as a human urinary metabolite. It is an alanine derivative, a non-proteinogenic alpha-amino acid and a secondary amino compound. It derives from an isobutyric acid.

SMILES: CNC(C)(C)C(=O)O

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

InChI: InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: -2.3