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

C11H12FN3O6 — CID 70667708

IUPAC2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H12FN3O6/c1-5(16)13-7(10(19)20)2-3-8(17)15-4-6(12)9(18)14-11(15)21/h4,7H,2-3H2,1H3,(H,13,16)(H,19,20)(H,14,18,21)
InChIKeyINSRPYGFNKTWIY-UHFFFAOYSA-N
MW301.23 g/mol
LogP-1.31
Rot. Bonds5

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

2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid (PubChem CID 70667708) has the molecular formula C11H12FN3O6 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
PubChem CID70667708
Molecular FormulaC11H12FN3O6
Molecular Weight301.23 g/mol
Exact Mass301.07
IUPAC Name2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H12FN3O6/c1-5(16)13-7(10(19)20)2-3-8(17)15-4-6(12)9(18)14-11(15)21/h4,7H,2-3H2,1H3,(H,13,16)(H,19,20)(H,14,18,21)
InChIKeyINSRPYGFNKTWIY-UHFFFAOYSA-N
XLogP-1.31
TPSA138.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid (CID 70667708) is 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid is CC(=O)NC(CCC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The InChIKey is INSRPYGFNKTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O6/c1-5(16)13-7(10(19)20)2-3-8(17)15-4-6(12)9(18)14-11(15)21/h4,7H,2-3H2,1H3,(H,13,16)(H,19,20)(H,14,18,21).
What are the key properties of 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid has a molecular weight of 301.23 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 70667708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).