ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate

C13H16FN3O5 — CID 11001492

IUPACethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1CC[C@H](n2cc(F)c(NC(C)=O)nc2=O)O1
InChIInChI=1S/C13H16FN3O5/c1-3-21-12(19)9-4-5-10(22-9)17-6-8(14)11(15-7(2)18)16-13(17)20/h6,9-10H,3-5H2,1-2H3,(H,15,16,18,20)/t9-,10-/m1/s1
InChIKeyVFMVXSAJWXHBGB-NXEZZACHSA-N
MW313.29 g/mol
LogP0.58
Rot. Bonds4

About ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate

ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate (PubChem CID 11001492) has the molecular formula C13H16FN3O5 and a molecular weight of 313.29 g/mol. Its IUPAC name is ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate
PubChem CID11001492
Molecular FormulaC13H16FN3O5
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Nameethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1CC[C@H](n2cc(F)c(NC(C)=O)nc2=O)O1
InChIInChI=1S/C13H16FN3O5/c1-3-21-12(19)9-4-5-10(22-9)17-6-8(14)11(15-7(2)18)16-13(17)20/h6,9-10H,3-5H2,1-2H3,(H,15,16,18,20)/t9-,10-/m1/s1
InChIKeyVFMVXSAJWXHBGB-NXEZZACHSA-N
XLogP0.58
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate with MolForge

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Related Compounds

[(2R,5S)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl acetate
CID 129318805
4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10193746
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[4-(ethoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
CID 101160199
[(2R,5S)-5-[5-fluoro-4-(methoxycarbonylamino)-2-oxopyrimidin-1-yl]-1,3-oxathiolan-2-yl]methyl methyl carbonate
CID 142441023
[5-fluoro-1-[(2R,5S)-2-(heptoxycarbonyloxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]carbamic acid
CID 135347139
[(1S,4R)-4-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)cyclopent-2-en-1-yl] acetate
CID 59766692
butyl N-[5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]carbamate
CID 142440988
pentyl N-[5-fluoro-1-(5-formyl-4-hydroxyoxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
CID 91014527
[(2R,5S)-5-[5-fluoro-4-(hexoxycarbonylamino)-2-oxopyrimidin-1-yl]-1,3-oxathiolan-2-yl]methyl acetate
CID 135347193
S-[8-(hydroxyamino)-8-oxooctyl] N-[5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamothioate
CID 88880731
[5-fluoro-1-(6-methyl-7-oxo-5-oxaspiro[2.4]heptan-4-yl)-2-oxopyrimidin-4-yl]carbamic acid
CID 91556166
N-[5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]cyclohexanecarboxamide
CID 10172163

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate?
The IUPAC name of ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate (CID 11001492) is ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate is CCOC(=O)[C@H]1CC[C@H](n2cc(F)c(NC(C)=O)nc2=O)O1.
What is the InChIKey of ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate?
The InChIKey is VFMVXSAJWXHBGB-NXEZZACHSA-N. The full InChI is InChI=1S/C13H16FN3O5/c1-3-21-12(19)9-4-5-10(22-9)17-6-8(14)11(15-7(2)18)16-13(17)20/h6,9-10H,3-5H2,1-2H3,(H,15,16,18,20)/t9-,10-/m1/s1.
What are the key properties of ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate?
ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate has a molecular weight of 313.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1-yl)oxolane-2-carboxylate is sourced from PubChem (CID 11001492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).