Molecule ID: 6991977

IUPAC Name: (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate

Description: The molecule is an amino acid zwitterion of L-homocitrulline arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It has a role as a human metabolite and a mouse metabolite. It is a tautomer of a L-homocitrulline.

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

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

InChI: InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -2.9