Basic information
- Standard SMILES
O=C1CC(C(=O)[O-])NC(=O)N1- InChIKey
UFIVEPVSAGBUSI-UHFFFAOYSA-M- Molecular formula
- C5H5N2O4-
- Average molar mass
- 157.1 g/mol
Overview
Dihydroorotate is a monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of dihydroorotic acid. It is functionally related to an orotate. It is a conjugate base of a dihydroorotic acid.
Names & identifiers
- Preferred name
- Dihydroorotate
- IUPAC
- 2,6-dioxo-1,3-diazinane-4-carboxylate
Names & synonyms
dihydroorotateCHEBI:30867RefChem:9202384,5-dihydroorotate2,6-dioxo-1,3-diazinane-4-carboxylateUFIVEPVSAGBUSI-UHFFFAOYSA-M2,6-dioxohexahydropyrimidine-4-carboxylateQ27114007
Database identifiers
- PubChem CID
- 5461056
- ChEMBL
CHEMBL75782- ChEBI
CHEBI:30867
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 219
Related reactions
1 records
Linked notes
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