Molecule ID: 440719

IUPAC Name: (2S)-2-acetamido-6-oxoheptanedioic acid

Description: The molecule is an oxo dicarboxylic acid and a N-acyl-amino acid. It derives from a (S)-2-amino-6-oxopimelic acid. It is a conjugate acid of a (S)-2-acetamido-6-oxopimelate(2-).

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

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

InChI: InChI=1S/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -0.7