2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid

C6H7N3O6S — CID 24710008

IUPAC2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid
SMILESNS(=O)(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O6S/c7-16(14,15)3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H2,7,14,15)(H,8,12,13)
InChIKeyNJMJXNIYCXHHQG-UHFFFAOYSA-N
MW249.20 g/mol
LogP-2.73
Rot. Bonds3

About 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid

2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid (PubChem CID 24710008) has the molecular formula C6H7N3O6S and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid
PubChem CID24710008
Molecular FormulaC6H7N3O6S
Molecular Weight249.20 g/mol
Exact Mass249.01
IUPAC Name2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid
SMILESNS(=O)(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O6S/c7-16(14,15)3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H2,7,14,15)(H,8,12,13)
InChIKeyNJMJXNIYCXHHQG-UHFFFAOYSA-N
XLogP-2.73
TPSA152.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 5-2.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid (CID 24710008) is 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid is NS(=O)(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid?
The InChIKey is NJMJXNIYCXHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O6S/c7-16(14,15)3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H2,7,14,15)(H,8,12,13).
What are the key properties of 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid?
2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid has a molecular weight of 249.20 g/mol, XLogP of -2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-5-sulfamoylpyrimidin-1-yl)acetic acid is sourced from PubChem (CID 24710008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).