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

C15H22FN3O4 — CID 121459567

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCCN1C(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H22FN3O4/c1-9(18-8-10(16)12(20)17-14(18)22)23-13(21)11-6-5-7-19(11)15(2,3)4/h8-9,11H,5-7H2,1-4H3,(H,17,20,22)
InChIKeyAXMATSSAIQRGKO-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.00
Rot. Bonds3

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

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate (PubChem CID 121459567) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate
PubChem CID121459567
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCCN1C(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H22FN3O4/c1-9(18-8-10(16)12(20)17-14(18)22)23-13(21)11-6-5-7-19(11)15(2,3)4/h8-9,11H,5-7H2,1-4H3,(H,17,20,22)
InChIKeyAXMATSSAIQRGKO-UHFFFAOYSA-N
XLogP1.00
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R,5R)-4-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid
CID 69401032
4-Acetyloxy-1-ethoxycarbonyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 91405638
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-tert-butylpyrrolidine-2-carboxylate
CID 121459561
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-tert-butylpyrrolidine-2-carboxylate
CID 121459568
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-methylpyrrolidine-2-carboxylate
CID 121461070
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl 1-methylpyrrolidine-2-carboxylate
CID 121461072
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)propyl 1-methylpyrrolidine-2-carboxylate
CID 121461092
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)propyl pyrrolidine-2-carboxylate
CID 123798486
[2-(2,2-Dimethylpropanoyloxymethyl)-1-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-oxopyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 24756508
1-O-tert-butyl 2-O-methyl (2S,4R,5R)-4-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate
CID 44186721
1-O-ethyl 2-O-methyl (2S,4R)-4-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate
CID 44186724
ethyl (3R,5R)-5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-2-methyl-1,2-oxazolidine-3-carboxylate
CID 102072730

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate (CID 121459567) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate is CC(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)ethyl 1-tert-butylpyrrolidine-2-carboxylate?
The InChIKey is AXMATSSAIQRGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-9(18-8-10(16)12(20)17-14(18)22)23-13(21)11-6-5-7-19(11)15(2,3)4/h8-9,11H,5-7H2,1-4H3,(H,17,20,22).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethyl 1-tert-butylpyrrolidine-2-carboxylate has a molecular weight of 327.36 g/mol, XLogP of 1.00, 3 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)ethyl 1-tert-butylpyrrolidine-2-carboxylate is sourced from PubChem (CID 121459567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).