ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate

C9H11FN2O4 — CID 755455

IUPACethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-2-16-7(13)3-4-12-5-6(10)8(14)11-9(12)15/h5H,2-4H2,1H3,(H,11,14,15)
InChIKeyUDVJIFZOVKMZTR-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.37
Rot. Bonds4

About ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate

ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 755455) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID755455
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Nameethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(=O)CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-2-16-7(13)3-4-12-5-6(10)8(14)11-9(12)15/h5H,2-4H2,1H3,(H,11,14,15)
InChIKeyUDVJIFZOVKMZTR-UHFFFAOYSA-N
XLogP-0.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
2-[(5-fluoro-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl Acetate
CID 4443484
1-(Ethoxycarbonyloxymethyl)-5-fluorouracil
CID 129216
Ethyl 5-fluoro-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxylate
CID 10420370
Ethyl 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 21582820
1-Isobutoxycarbonyl-5-fluorouracil
CID 13061636
methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 7536486
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 435921
Methyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543404
Ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543635
Propyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543758
Methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxy-propanoate
CID 11644402

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate (CID 755455) is ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate is CCOC(=O)CCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is UDVJIFZOVKMZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-2-16-7(13)3-4-12-5-6(10)8(14)11-9(12)15/h5H,2-4H2,1H3,(H,11,14,15).
What are the key properties of ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate?
ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 230.19 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 755455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).