Molecule ID: 439377

IUPAC Name: (2S)-2-(methylamino)pentanedioic acid

Description: The molecule is a N-methyl-L-alpha-amino acid with L-glutamic acid as the amino acid component. It has a role as a bacterial xenobiotic metabolite. It is a N-methyl-L-alpha-amino acid and a methyl-L-glutamic acid. It is a conjugate acid of a N-methyl-L-glutamate(1-).

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

SELFIES: [C][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: -3.0