3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid

C11H24N2O4S — CID 83142369

IUPAC3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
SMILESCC(CNS(=O)(=O)N(C)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O4S/c1-9(11(2,3)4)8-12-18(16,17)13(5)7-6-10(14)15/h9,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyARXYDTQCARSFDM-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.91
Rot. Bonds7

About 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid

3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid (PubChem CID 83142369) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
PubChem CID83142369
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
SMILESCC(CNS(=O)(=O)N(C)CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O4S/c1-9(11(2,3)4)8-12-18(16,17)13(5)7-6-10(14)15/h9,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyARXYDTQCARSFDM-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
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3-[methyl-[2-(methylsulfamoyl)ethylsulfamoyl]amino]propanoic acid
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3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
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methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
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3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid (CID 83142369) is 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid is CC(CNS(=O)(=O)N(C)CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid?
The InChIKey is ARXYDTQCARSFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(11(2,3)4)8-12-18(16,17)13(5)7-6-10(14)15/h9,12H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid?
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 83142369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).