Molecule ID: 25246026

IUPAC Name: (2S)-2-acetamido-6-oxohexanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion resulting from deprotonation of the carboxy group of N-acetyl-L-2-aminoadipic semialdehyde; major species at pH 7.3. It is a conjugate base of a N-acetyl-L-2-aminoadipic acid semialdehyde.

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

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

InChI: InChI=1S/C8H13NO4/c1-6(11)9-7(8(12)13)4-2-3-5-10/h5,7H,2-4H2,1H3,(H,9,11)(H,12,13)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: -0.3