Molecule ID: 6993223

IUPAC Name: (6S)-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate

Description: The molecule is a zwitterion obtained by transfer of a proton from the carboxy group to the nitrogen alpha to the carboxy group. The major species at pH 7.3. It is a tautomer of an ectoine.

SMILES: CC1=NCC[C@@H](C(=O)O)N1

SELFIES: [C][C][=N][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][=Branch2]

InChI: InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.1 Ų
- LogP: -0.1