2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

C9H20N2O4S — CID 79793406

IUPAC2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCCC(C)(NS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6-9(4,8(12)13)10-16(14,15)11(5)7(2)3/h7,10H,6H2,1-5H3,(H,12,13)
InChIKeyILXCPUTVPSRIMP-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.41
Rot. Bonds6

About 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 79793406) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID79793406
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCCC(C)(NS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6-9(4,8(12)13)10-16(14,15)11(5)7(2)3/h7,10H,6H2,1-5H3,(H,12,13)
InChIKeyILXCPUTVPSRIMP-UHFFFAOYSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 79793406) is 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CCC(C)(NS(=O)(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is ILXCPUTVPSRIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6-9(4,8(12)13)10-16(14,15)11(5)7(2)3/h7,10H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 79793406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).