2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H17N3O6S — CID 43511209

IUPAC2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCOC(=O)C(NS(=O)(=O)c1cnn(CC(=O)O)c1)C(C)C
InChIInChI=1S/C11H17N3O6S/c1-7(2)10(11(17)20-3)13-21(18,19)8-4-12-14(5-8)6-9(15)16/h4-5,7,10,13H,6H2,1-3H3,(H,15,16)
InChIKeyNRUSVVKRXHSKBI-UHFFFAOYSA-N
MW319.34 g/mol
LogP-0.56
Rot. Bonds7

About 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511209) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511209
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCOC(=O)C(NS(=O)(=O)c1cnn(CC(=O)O)c1)C(C)C
InChIInChI=1S/C11H17N3O6S/c1-7(2)10(11(17)20-3)13-21(18,19)8-4-12-14(5-8)6-9(15)16/h4-5,7,10,13H,6H2,1-3H3,(H,15,16)
InChIKeyNRUSVVKRXHSKBI-UHFFFAOYSA-N
XLogP-0.56
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511209) is 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is COC(=O)C(NS(=O)(=O)c1cnn(CC(=O)O)c1)C(C)C.
What is the InChIKey of 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is NRUSVVKRXHSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-7(2)10(11(17)20-3)13-21(18,19)8-4-12-14(5-8)6-9(15)16/h4-5,7,10,13H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 319.34 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).