3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

C16H20FN3O7 — CID 66573769

IUPAC3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@H]32)cc1F
InChIInChI=1S/C16H20FN3O7/c1-7(2)4-5-24-15(22)19-12-9(17)6-20(14(21)18-12)13-11-10(8(3)25-13)26-16(23)27-11/h6-8,10-11,13H,4-5H2,1-3H3,(H,18,19,21,22)/t8-,10-,11-,13-/m1/s1
InChIKeyXVQQIUGPJRZVOE-UORFTKCHSA-N
MW385.35 g/mol
LogP1.80
Rot. Bonds5

About 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 66573769) has the molecular formula C16H20FN3O7 and a molecular weight of 385.35 g/mol. Its IUPAC name is 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID66573769
Molecular FormulaC16H20FN3O7
Molecular Weight385.35 g/mol
Exact Mass385.13
IUPAC Name3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@H]32)cc1F
InChIInChI=1S/C16H20FN3O7/c1-7(2)4-5-24-15(22)19-12-9(17)6-20(14(21)18-12)13-11-10(8(3)25-13)26-16(23)27-11/h6-8,10-11,13H,4-5H2,1-3H3,(H,18,19,21,22)/t8-,10-,11-,13-/m1/s1
InChIKeyXVQQIUGPJRZVOE-UORFTKCHSA-N
XLogP1.80
TPSA117.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 66573769) is 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CC(C)CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@H]32)cc1F.
What is the InChIKey of 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is XVQQIUGPJRZVOE-UORFTKCHSA-N. The full InChI is InChI=1S/C16H20FN3O7/c1-7(2)4-5-24-15(22)19-12-9(17)6-20(14(21)18-12)13-11-10(8(3)25-13)26-16(23)27-11/h6-8,10-11,13H,4-5H2,1-3H3,(H,18,19,21,22)/t8-,10-,11-,13-/m1/s1.
What are the key properties of 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 385.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-[1-[(3aR,4R,6R,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 66573769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).