Molecule ID: 45266759

IUPAC Name: (2S)-2-acetamido-5-(carbamoylamino)pentanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-citrulline, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetyl-L-citrulline.

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

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -1.6