L-Dihydroorotic acid

C₅H₆N₂O₄CAS 5988-19-2158.11 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₅H₆N₂O₄
Molar mass: 158.11 g/mol
Exact mass: 158.0328 Da
Melting point: 267–268 °C (decomposes)
logP: -0.29Crippen estimate
Polar surface area: 102.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

5988-19-2

SMILES

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

InChIKey

UFIVEPVSAGBUSI-REOHCLBHSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (4S)-
Hydroorotic acid, L-
4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (S)-
(4S)-Hexahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
L-Dihydroorotate
L-5,6-Dihydroorotic acid
(4S)-2,6-Dioxo-1,3-diazinane-4-carboxylic acid
(S)-2,6-Dioxohexahydropyrimidine-4-carboxylic acid

Work with L-Dihydroorotic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyroglutamic acid149-87-148 % similar (+)-Pyroglutamic acid4042-36-848 % similar L-Pyroglutamic acid98-79-348 % similar Glycyl-L-aspartic acid4685-12-547 % similar 6-Oxo-2-piperidinecarboxylic acid3770-22-746 % similar N-Acetylaspartic acid2545-40-642 % similar Glycylserine687-38-742 % similar N-Acetyl-L-aspartic acid997-55-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2Z)-4-[(Aminocarbonyl)amino]-4-oxo-2-butenoic acid105-61-3 Ibotenic acid2552-55-8 5-Hydantoinacetic acid5427-26-9

Elsewhere

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