Molecule ID: 6993183

IUPAC Name: (2S)-2-azaniumyl-5-oxo-5-(propan-2-ylamino)pentanoate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-isopropyl-L-glutamine; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a N-isopropyl-L-glutamine.

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

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

InChI: InChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -2.3