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

C10H10FN3O6 — CID 89374197

IUPAC5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid
SMILESO=CNC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H10FN3O6/c11-5-3-14(10(20)13-8(5)17)7(16)2-1-6(9(18)19)12-4-15/h3-4,6H,1-2H2,(H,12,15)(H,18,19)(H,13,17,20)
InChIKeyLQLGVVCVRJHELS-UHFFFAOYSA-N
MW287.20 g/mol
LogP-1.70
Rot. Bonds6

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

5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid (PubChem CID 89374197) has the molecular formula C10H10FN3O6 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid
PubChem CID89374197
Molecular FormulaC10H10FN3O6
Molecular Weight287.20 g/mol
Exact Mass287.06
IUPAC Name5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid
SMILESO=CNC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H10FN3O6/c11-5-3-14(10(20)13-8(5)17)7(16)2-1-6(9(18)19)12-4-15/h3-4,6H,1-2H2,(H,12,15)(H,18,19)(H,13,17,20)
InChIKeyLQLGVVCVRJHELS-UHFFFAOYSA-N
XLogP-1.70
TPSA138.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid?
The IUPAC name of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid (CID 89374197) is 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid?
The canonical SMILES for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid is O=CNC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid?
The InChIKey is LQLGVVCVRJHELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O6/c11-5-3-14(10(20)13-8(5)17)7(16)2-1-6(9(18)19)12-4-15/h3-4,6H,1-2H2,(H,12,15)(H,18,19)(H,13,17,20).
What are the key properties of 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid?
5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid has a molecular weight of 287.20 g/mol, XLogP of -1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid is sourced from PubChem (CID 89374197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).