3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid

C9H19NO4S — CID 43570050

IUPAC3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)C(C)N(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-7(2)8(3)10(4)15(13,14)6-5-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyCPTHBYODHDNGNJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.77
Rot. Bonds6

About 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid

3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid (PubChem CID 43570050) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid
PubChem CID43570050
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)C(C)N(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO4S/c1-7(2)8(3)10(4)15(13,14)6-5-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyCPTHBYODHDNGNJ-UHFFFAOYSA-N
XLogP0.77
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid (CID 43570050) is 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid is CC(C)C(C)N(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid?
The InChIKey is CPTHBYODHDNGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(2)8(3)10(4)15(13,14)6-5-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid?
3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutan-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43570050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).