Molecule ID: 121396

IUPAC Name: (2S)-2-(carbamoylamino)pentanedioic acid

Description: The molecule is a urea that is the N-carbamoyl derivative of L-glutamic acid. An orphan drug used to treat a deficiency in the enzyme N-acetylglutamate synthase, which leads to acute hyperammonaemia. It has a role as an orphan drug and a carbamylphosphate synthetase I activator. It is a N-acyl-L-glutamic acid and a member of ureas.

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

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

InChI: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -2.4