Molecule ID: 44629506

IUPAC Name: (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate

Description: The molecule is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 5-hydroxyectoine. It is a conjugate base of a 5-hydroxyectoine.

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

SELFIES: [C][C][=N][C][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][Ring1][#Branch2]

InChI: InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/p-1/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 84.8 Ų
- LogP: -0.6