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(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C16H24FN3O6 — CID 123823257

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H24FN3O6/c1-9(2)6-11(18-15(24)26-16(3,4)5)13(22)25-8-20-7-10(17)12(21)19-14(20)23/h7,9,11H,6,8H2,1-5H3,(H,18,24)(H,19,21,23)
InChIKeyBHQGTCUDFRZLET-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.12
Rot. Bonds6

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 123823257) has the molecular formula C16H24FN3O6 and a molecular weight of 373.38 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID123823257
Molecular FormulaC16H24FN3O6
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H24FN3O6/c1-9(2)6-11(18-15(24)26-16(3,4)5)13(22)25-8-20-7-10(17)12(21)19-14(20)23/h7,9,11H,6,8H2,1-5H3,(H,18,24)(H,19,21,23)
InChIKeyBHQGTCUDFRZLET-UHFFFAOYSA-N
XLogP1.12
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 123823257) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is BHQGTCUDFRZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O6/c1-9(2)6-11(18-15(24)26-16(3,4)5)13(22)25-8-20-7-10(17)12(21)19-14(20)23/h7,9,11H,6,8H2,1-5H3,(H,18,24)(H,19,21,23).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 373.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 123823257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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