2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid

C11H17N3O6S — CID 43082033

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C11H17N3O6S/c1-6(2)8(10(16)17)12-21(19,20)7-5-13(3)11(18)14(4)9(7)15/h5-6,8,12H,1-4H3,(H,16,17)
InChIKeyQUPMVGIYCDUNLI-UHFFFAOYSA-N
MW319.34 g/mol
LogP-1.53
Rot. Bonds5

About 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 43082033) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid
PubChem CID43082033
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)C(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C11H17N3O6S/c1-6(2)8(10(16)17)12-21(19,20)7-5-13(3)11(18)14(4)9(7)15/h5-6,8,12H,1-4H3,(H,16,17)
InChIKeyQUPMVGIYCDUNLI-UHFFFAOYSA-N
XLogP-1.53
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid (CID 43082033) is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid is CC(C)C(NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is QUPMVGIYCDUNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-6(2)8(10(16)17)12-21(19,20)7-5-13(3)11(18)14(4)9(7)15/h5-6,8,12H,1-4H3,(H,16,17).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid?
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 319.34 g/mol, XLogP of -1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 43082033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).