2-(2-methylbutan-2-ylsulfamoyl)propanoic acid

C8H17NO4S — CID 61454181

IUPAC2-(2-methylbutan-2-ylsulfamoyl)propanoic acid
SMILESCCC(C)(C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-5-8(3,4)9-14(12,13)6(2)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyHWYUGHAEUCJVFX-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.57
Rot. Bonds5

About 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid

2-(2-methylbutan-2-ylsulfamoyl)propanoic acid (PubChem CID 61454181) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylsulfamoyl)propanoic acid
PubChem CID61454181
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-(2-methylbutan-2-ylsulfamoyl)propanoic acid
SMILESCCC(C)(C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H17NO4S/c1-5-8(3,4)9-14(12,13)6(2)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKeyHWYUGHAEUCJVFX-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid (CID 61454181) is 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid is CCC(C)(C)NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid?
The InChIKey is HWYUGHAEUCJVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-5-8(3,4)9-14(12,13)6(2)7(10)11/h6,9H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid?
2-(2-methylbutan-2-ylsulfamoyl)propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).