Molecule ID: 648

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

Description: The molecule is a pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine. It is a secondary amide, a monocarboxylic acid, a pyrimidinemonocarboxylic acid and a N-acylurea. It derives from an orotic acid. It is a conjugate acid of a dihydroorotate.

SMILES: O=C(O)C1CC(O)=NC(O)=N1

SELFIES: [O][=C][Branch1][C][O][C][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)

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