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

C16H24FN3O6 — CID 57125240

IUPAC2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCCC(CC)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C16H24FN3O6/c1-4-9(5-2)7-25-16(24)19-13-10(17)6-20(15(23)18-13)14-12(22)11(21)8(3)26-14/h6,8-9,11-12,14,21-22H,4-5,7H2,1-3H3,(H,18,19,23,24)/t8-,11?,12?,14-/m1/s1
InChIKeyGOMXJFCJZBVAQT-KWVVFUOQSA-N
MW373.38 g/mol
LogP1.01
Rot. Bonds6

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

2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 57125240) has the molecular formula C16H24FN3O6 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID57125240
Molecular FormulaC16H24FN3O6
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCCC(CC)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C16H24FN3O6/c1-4-9(5-2)7-25-16(24)19-13-10(17)6-20(15(23)18-13)14-12(22)11(21)8(3)26-14/h6,8-9,11-12,14,21-22H,4-5,7H2,1-3H3,(H,18,19,23,24)/t8-,11?,12?,14-/m1/s1
InChIKeyGOMXJFCJZBVAQT-KWVVFUOQSA-N
XLogP1.01
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 57125240) is 2-ethylbutyl 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-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CCC(CC)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F.
What is the InChIKey of 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is GOMXJFCJZBVAQT-KWVVFUOQSA-N. The full InChI is InChI=1S/C16H24FN3O6/c1-4-9(5-2)7-25-16(24)19-13-10(17)6-20(15(23)18-13)14-12(22)11(21)8(3)26-14/h6,8-9,11-12,14,21-22H,4-5,7H2,1-3H3,(H,18,19,23,24)/t8-,11?,12?,14-/m1/s1.
What are the key properties of 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 373.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 57125240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).