Molecule ID: 25246104

IUPAC Name: (2S)-2-azaniumyl-5-oxo-5-(4-oxobutylamino)pentanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyl-gamma-aminobutyraldehyde; major species at pH 7.3. It is a tautomer of a gamma-glutamyl-gamma-aminobutyraldehyde.

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

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

InChI: InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: -3.3