2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid

C8H9FN2O4 — CID 131617225

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-8(2,6(13)14)11-3-4(9)5(12)10-7(11)15/h3H,1-2H3,(H,13,14)(H,10,12,15)
InChIKeyNOQULDWANXBOAN-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.50
Rot. Bonds2

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid (PubChem CID 131617225) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid
PubChem CID131617225
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-8(2,6(13)14)11-3-4(9)5(12)10-7(11)15/h3H,1-2H3,(H,13,14)(H,10,12,15)
InChIKeyNOQULDWANXBOAN-UHFFFAOYSA-N
XLogP-0.50
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
5-Fluorouracil-acetic acid
CID 12844136
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 13711759
N-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carbonyl)glycine
CID 15725928
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(2-oxopropylamino)propanoic acid
CID 19968649
2-(2,4-Dioxo-5-(trifluoromethyl)-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 54344909
2-[Acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 54458821
2-Fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
CID 81297160
2,2-Diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
CID 123276710
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 175290961
Thymine-1-yl butyric acid
CID 129734193

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid (CID 131617225) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid?
The InChIKey is NOQULDWANXBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-8(2,6(13)14)11-3-4(9)5(12)10-7(11)15/h3H,1-2H3,(H,13,14)(H,10,12,15).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid has a molecular weight of 216.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 131617225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).