Molecule ID: 23724570

IUPAC Name: (2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid

Description: The molecule is an N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of 4-aminobutanoic acid with the gamma-carbxy group of L-glutamic acid. It has a role as an Escherichia coli metabolite. It is an amino dicarboxylic acid and a N-acyl-gamma-aminobutyric acid. It contains a L-gamma-glutamyl group. It is a conjugate acid of a 4-(L-gamma-glutamylamino)butanoate.

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

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

InChI: InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -4.1