[2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate

C14H17FN2O9 — CID 11660807

IUPAC[2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate
SMILESCCCC(=O)OCOC(=O)COCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H17FN2O9/c1-2-3-10(18)25-8-26-12(20)6-23-5-11(19)24-7-17-4-9(15)13(21)16-14(17)22/h4H,2-3,5-8H2,1H3,(H,16,21,22)
InChIKeyAJLMZRDFHLLHAP-UHFFFAOYSA-N
MW376.29 g/mol
LogP-0.96
Rot. Bonds10

About [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate

[2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate (PubChem CID 11660807) has the molecular formula C14H17FN2O9 and a molecular weight of 376.29 g/mol. Its IUPAC name is [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate.

Molecular Properties

Compound Name[2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate
PubChem CID11660807
Molecular FormulaC14H17FN2O9
Molecular Weight376.29 g/mol
Exact Mass376.09
IUPAC Name[2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate
SMILESCCCC(=O)OCOC(=O)COCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H17FN2O9/c1-2-3-10(18)25-8-26-12(20)6-23-5-11(19)24-7-17-4-9(15)13(21)16-14(17)22/h4H,2-3,5-8H2,1H3,(H,16,21,22)
InChIKeyAJLMZRDFHLLHAP-UHFFFAOYSA-N
XLogP-0.96
TPSA142.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate 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 [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate?
The IUPAC name of [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate (CID 11660807) is [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate.
What is the SMILES notation for [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate?
The canonical SMILES for [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate is CCCC(=O)OCOC(=O)COCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate?
The InChIKey is AJLMZRDFHLLHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O9/c1-2-3-10(18)25-8-26-12(20)6-23-5-11(19)24-7-17-4-9(15)13(21)16-14(17)22/h4H,2-3,5-8H2,1H3,(H,16,21,22).
What are the key properties of [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate?
[2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate has a molecular weight of 376.29 g/mol, XLogP of -0.96, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-2-oxoethoxy]acetyl]oxymethyl butanoate is sourced from PubChem (CID 11660807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).