(S)-1-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIc acid

C₆H₈N₂O₄CAS 103365-69-1172.14 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam

Properties

Molecular formula: C₆H₈N₂O₄
Molar mass: 172.14 g/mol
Exact mass: 172.0484 Da
Melting point: 214–216 °C
logP: -0.78Crippen estimate
Polar surface area: 90.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

103365-69-1

SMILES

CN1C(=O)C[C@@H](C(=O)O)N=C1O

InChIKey

GWHDGNNXTNENIF-VKHMYHEASA-N

InChI

InChI=1S/C6H8N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,10,11)/t3-/m0/s1

Weigh it out

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

Names and synonyms

5 names

(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid
4-Pyrimidinecarboxylic acid, hexahydro-1-methyl-2,6-dioxo-, (4S)-
4-Pyrimidinecarboxylic acid, hexahydro-1-methyl-2,6-dioxo-, (S)-
1-Methyl-L-4,5-dihydroorotic acid
(4S)-1-Methyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid

Work with (S)-1-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIc 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

N-Acetylaspartic acid2545-40-641 % similar N-Acetyl-L-aspartic acid997-55-741 % similar 1-Methyl-4-carboxy-2-pyrrolidone42346-68-940 % similar L-Dihydroorotic acid5988-19-240 % similar N2-Acetyl-D-asparagine26117-27-140 % similar N-Acetylasparagine4033-40-340 % similar 2-(Acetylamino)butanoic acid7211-57-638 % similar N-Acetyl-DL-serine97-14-337 % similar

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

Same formula

N-Succinimidyl-N-methylcarbamate18342-66-0

Elsewhere

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