Molecule ID: 443992

IUPAC Name: (2S)-2-acetamidohexanedioic acid

Description: The molecule is an N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent. It has a role as a human metabolite. It is a conjugate acid of a N-acetyl-L-2-aminoadipate(2-).

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

SELFIES: [C][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][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)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -0.6