Molecule ID: 439943

IUPAC Name: 2-(1-carboxyethylamino)propanoic acid

Description: The molecule is an amino dicarboxylic acid that is 2,2'-iminodiacetic acid substituted by methyl groups at positions 2 and 2'. It is an amino dicarboxylic acid and an amino acid opine. It derives from a propionic acid. It is a conjugate acid of a 2,2'-iminodipropanoate and a 2,2'-iminodipropanoate(1-).

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

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

InChI: InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: -2.5