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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).