1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate

C16H24FN3O4 — CID 121459568

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate
SMILESCCC(OC(=O)C1CCCN1C(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H24FN3O4/c1-5-12(19-9-10(17)13(21)18-15(19)23)24-14(22)11-7-6-8-20(11)16(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,18,21,23)
InChIKeyWIBMIPMZKVDDJB-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.39
Rot. Bonds4

About 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate (PubChem CID 121459568) has the molecular formula C16H24FN3O4 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate
PubChem CID121459568
Molecular FormulaC16H24FN3O4
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate
SMILESCCC(OC(=O)C1CCCN1C(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C16H24FN3O4/c1-5-12(19-9-10(17)13(21)18-15(19)23)24-14(22)11-7-6-8-20(11)16(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,18,21,23)
InChIKeyWIBMIPMZKVDDJB-UHFFFAOYSA-N
XLogP1.39
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate (CID 121459568) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate is CCC(OC(=O)C1CCCN1C(C)(C)C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate?
The InChIKey is WIBMIPMZKVDDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4/c1-5-12(19-9-10(17)13(21)18-15(19)23)24-14(22)11-7-6-8-20(11)16(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,18,21,23).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate has a molecular weight of 341.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate is sourced from PubChem (CID 121459568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).