3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid

C11H24N2O4S — CID 54947409

IUPAC3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O4S/c1-9(2)12(6)18(16,17)13(11(3,4)5)8-7-10(14)15/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyNDGCMDZAZUVYCZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.15
Rot. Bonds6

About 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid

3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid (PubChem CID 54947409) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
PubChem CID54947409
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O4S/c1-9(2)12(6)18(16,17)13(11(3,4)5)8-7-10(14)15/h9H,7-8H2,1-6H3,(H,14,15)
InChIKeyNDGCMDZAZUVYCZ-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684172
3-[Methyl-[pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684953
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
N-(Dimethylsulfamoyl)-N-ethyl-beta-alanine
CID 39246267
3-[Diethylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 54925922
3-[Dipropylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 54926019
3-[[Butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid
CID 54926020
3-[Cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 54947356
3-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid
CID 54947408
3-[[Butyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 55007438
3-[Dipropylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 55008134

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid (CID 54947409) is 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid is CC(C)N(C)S(=O)(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The InChIKey is NDGCMDZAZUVYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(2)12(6)18(16,17)13(11(3,4)5)8-7-10(14)15/h9H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 54947409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).