Molecule ID: 25244914

IUPAC Name: (2S)-2-acetamidohexanedioate

Description: The molecule is an N-acyl-L-alpha-amino acid anion arising from deprotonation of both carboxy groups of N-acetyl-L-2-aminoadipic acid; major species at pH 7.3. It has a role as a metabolite. It is a N-acyl-L-alpha-amino acid anion and a dicarboxylic acid dianion. It is a conjugate base of a N-acetyl-L-2-aminoadipic acid.

SMILES: CC([O-])=N[C@@H](CCCC(=O)[O-])C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/p-2/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.5