(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane

C11H16FN3O5 — CID 158179056

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane
SMILESC.CNC(=O)CCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O5.CH4/c1-12-7(15)2-3-8(16)19-5-14-4-6(11)9(17)13-10(14)18;/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18);1H4
InChIKeyFYIWIFPFFFTCFG-UHFFFAOYSA-N
MW289.26 g/mol
LogP-0.66
Rot. Bonds5

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane (PubChem CID 158179056) has the molecular formula C11H16FN3O5 and a molecular weight of 289.26 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane
PubChem CID158179056
Molecular FormulaC11H16FN3O5
Molecular Weight289.26 g/mol
Exact Mass289.11
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane
SMILESC.CNC(=O)CCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O5.CH4/c1-12-7(15)2-3-8(16)19-5-14-4-6(11)9(17)13-10(14)18;/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18);1H4
InChIKeyFYIWIFPFFFTCFG-UHFFFAOYSA-N
XLogP-0.66
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane (CID 158179056) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane is C.CNC(=O)CCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane?
The InChIKey is FYIWIFPFFFTCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5.CH4/c1-12-7(15)2-3-8(16)19-5-14-4-6(11)9(17)13-10(14)18;/h4H,2-3,5H2,1H3,(H,12,15)(H,13,17,18);1H4.
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane has a molecular weight of 289.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane is sourced from PubChem (CID 158179056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).