Molecule ID: 440847

IUPAC Name: (2S)-2-(3-carboxypropanoylamino)pentanedioic acid

Description: The molecule is a N-acyl-L-glutamic acid and a tricarboxylic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a N-(3-carboxylatopropanoyl)-L-glutamate(3-).

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

SELFIES: [O][=C][Branch1][C][O][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H13NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -1.5