methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate

C11H12F2N2O5 — CID 11130019

IUPACmethyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1F
InChIInChI=1S/C11H12F2N2O5/c1-19-7(17)4-5-8(12)9(13)10(20-5)15-3-2-6(16)14-11(15)18/h2-3,5,8-10H,4H2,1H3,(H,14,16,18)/t5-,8-,9-,10-/m1/s1
InChIKeyMFKGWVGQUPWNEZ-UUOKUNOPSA-N
MW290.22 g/mol
LogP-0.33
Rot. Bonds3

About methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate

methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate (PubChem CID 11130019) has the molecular formula C11H12F2N2O5 and a molecular weight of 290.22 g/mol. Its IUPAC name is methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate
PubChem CID11130019
Molecular FormulaC11H12F2N2O5
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1F
InChIInChI=1S/C11H12F2N2O5/c1-19-7(17)4-5-8(12)9(13)10(20-5)15-3-2-6(16)14-11(15)18/h2-3,5,8-10H,4H2,1H3,(H,14,16,18)/t5-,8-,9-,10-/m1/s1
InChIKeyMFKGWVGQUPWNEZ-UUOKUNOPSA-N
XLogP-0.33
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate with MolForge

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Related Compounds

1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2R,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159487979
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 165061315
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 71340660
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate (CID 11130019) is methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate is COC(=O)C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1F.
What is the InChIKey of methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate?
The InChIKey is MFKGWVGQUPWNEZ-UUOKUNOPSA-N. The full InChI is InChI=1S/C11H12F2N2O5/c1-19-7(17)4-5-8(12)9(13)10(20-5)15-3-2-6(16)14-11(15)18/h2-3,5,8-10H,4H2,1H3,(H,14,16,18)/t5-,8-,9-,10-/m1/s1.
What are the key properties of methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate?
methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate has a molecular weight of 290.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-difluorooxolan-2-yl]acetate is sourced from PubChem (CID 11130019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).