2-[tert-butyl(methyl)sulfamoyl]propanoic acid

C8H17NO4S — CID 54048764

IUPAC2-[tert-butyl(methyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)C(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-6(7(10)11)14(12,13)9(5)8(2,3)4/h6H,1-5H3,(H,10,11)
InChIKeyLRJXDYCUKWKCGF-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.52
Rot. Bonds3

About 2-[tert-butyl(methyl)sulfamoyl]propanoic acid

2-[tert-butyl(methyl)sulfamoyl]propanoic acid (PubChem CID 54048764) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(methyl)sulfamoyl]propanoic acid
PubChem CID54048764
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-[tert-butyl(methyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)C(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-6(7(10)11)14(12,13)9(5)8(2,3)4/h6H,1-5H3,(H,10,11)
InChIKeyLRJXDYCUKWKCGF-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[tert-butyl(methyl)sulfamoyl]propanoic acid (CID 54048764) is 2-[tert-butyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[tert-butyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[tert-butyl(methyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is LRJXDYCUKWKCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(7(10)11)14(12,13)9(5)8(2,3)4/h6H,1-5H3,(H,10,11).
What are the key properties of 2-[tert-butyl(methyl)sulfamoyl]propanoic acid?
2-[tert-butyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 223.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54048764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).