Molecule ID: 439216

IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid

Description: The molecule is the (S)-enantiomer of dihydroorotic acid that is an intermediate in the metabolism of pyridine. It has a role as a Saccharomyces cerevisiae metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a (S)-dihydroorotate. It is an enantiomer of a (R)-dihydroorotic acid.

SMILES: O=C(O)[C@@H]1CC(O)=NC(O)=N1

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

InChI: InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: -1.5