Molecule ID: 137553763

IUPAC Name: (2S)-2-azaniumyl-5-[hydroxy(methylcarbamoyl)amino]pentanoate

Description: The molecule is an L-citrulline derivative in which the delta-nitrogen atoms carries a hydroxy group and one of the omega-nitrogen atoms carries a methyl group; major species at pH 7.3. It is an amino acid zwitterion and a non-proteinogenic L-alpha-amino acid. It derives from a L-citrulline zwitterion.

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

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

InChI: InChI=1S/C7H15N3O4/c1-9-7(13)10(14)4-2-3-5(8)6(11)12/h5,14H,2-4,8H2,1H3,(H,9,13)(H,11,12)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -3.2