2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

C14H20FN3O6 — CID 57216517

IUPAC2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C14H20FN3O6/c1-6(2)5-23-14(22)17-11-8(15)4-18(13(21)16-11)12-10(20)9(19)7(3)24-12/h4,6-7,9-10,12,19-20H,5H2,1-3H3,(H,16,17,21,22)/t7-,9?,10?,12-/m1/s1
InChIKeyBDPHEOFPHIHPJA-WDHXSWFYSA-N
MW345.33 g/mol
LogP0.23
Rot. Bonds4

About 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 57216517) has the molecular formula C14H20FN3O6 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID57216517
Molecular FormulaC14H20FN3O6
Molecular Weight345.33 g/mol
Exact Mass345.13
IUPAC Name2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C14H20FN3O6/c1-6(2)5-23-14(22)17-11-8(15)4-18(13(21)16-11)12-10(20)9(19)7(3)24-12/h4,6-7,9-10,12,19-20H,5H2,1-3H3,(H,16,17,21,22)/t7-,9?,10?,12-/m1/s1
InChIKeyBDPHEOFPHIHPJA-WDHXSWFYSA-N
XLogP0.23
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 57216517) is 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CC(C)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F.
What is the InChIKey of 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is BDPHEOFPHIHPJA-WDHXSWFYSA-N. The full InChI is InChI=1S/C14H20FN3O6/c1-6(2)5-23-14(22)17-11-8(15)4-18(13(21)16-11)12-10(20)9(19)7(3)24-12/h4,6-7,9-10,12,19-20H,5H2,1-3H3,(H,16,17,21,22)/t7-,9?,10?,12-/m1/s1.
What are the key properties of 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 345.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 57216517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).