diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate

C15H20N2O7 — CID 25062289

IUPACdiethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate
SMILESCCOC(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@]1(C)C(=O)OCC
InChIInChI=1S/C15H20N2O7/c1-4-22-12(19)11-15(3,13(20)23-5-2)8-10(24-11)17-7-6-9(18)16-14(17)21/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,18,21)/t10-,11-,15-/m0/s1
InChIKeyCMSYDTMZVYYXJW-PGUXBMHVSA-N
MW340.33 g/mol
LogP-0.04
Rot. Bonds5

About diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate

diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate (PubChem CID 25062289) has the molecular formula C15H20N2O7 and a molecular weight of 340.33 g/mol. Its IUPAC name is diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate
PubChem CID25062289
Molecular FormulaC15H20N2O7
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Namediethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate
SMILESCCOC(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@]1(C)C(=O)OCC
InChIInChI=1S/C15H20N2O7/c1-4-22-12(19)11-15(3,13(20)23-5-2)8-10(24-11)17-7-6-9(18)16-14(17)21/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,18,21)/t10-,11-,15-/m0/s1
InChIKeyCMSYDTMZVYYXJW-PGUXBMHVSA-N
XLogP-0.04
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate with MolForge

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Related Compounds

ethyl (2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
CID 67793420
methyl (2S,3R,5S)-2-(butoxymethyl)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-3-carboxylate
CID 71241389
methyl 5-(2,4-dioxopyrimidin-1-yl)-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
CID 59278885
1-[(2R,4S,5R)-4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70457581
1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 509512
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
bis[[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] butanedioate
CID 169087902
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
CID 5272112
diethyl (2R,3R,5R)-5-acetyloxy-3-methyloxolane-2,3-dicarboxylate
CID 70896745
ethyl (2R,3R)-2-amino-3-[(2S,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-hydroxypropanoate
CID 86587948
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-di(hexanoyloxy)oxolan-2-yl]methyl hexanoate
CID 101181117

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate?
The IUPAC name of diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate (CID 25062289) is diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate.
What is the SMILES notation for diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate?
The canonical SMILES for diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate is CCOC(=O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@]1(C)C(=O)OCC.
What is the InChIKey of diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate?
The InChIKey is CMSYDTMZVYYXJW-PGUXBMHVSA-N. The full InChI is InChI=1S/C15H20N2O7/c1-4-22-12(19)11-15(3,13(20)23-5-2)8-10(24-11)17-7-6-9(18)16-14(17)21/h6-7,10-11H,4-5,8H2,1-3H3,(H,16,18,21)/t10-,11-,15-/m0/s1.
What are the key properties of diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate?
diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate has a molecular weight of 340.33 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-methyloxolane-2,3-dicarboxylate is sourced from PubChem (CID 25062289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).