3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid

C10H22N2O4S — CID 114805657

IUPAC3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
SMILESCC(C)NS(=O)(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)11-17(15,16)12(10(3,4)5)7-6-9(13)14/h8,11H,6-7H2,1-5H3,(H,13,14)
InChIKeyKTGAQIIRANXITJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.80
Rot. Bonds6

About 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid

3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid (PubChem CID 114805657) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
PubChem CID114805657
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid
SMILESCC(C)NS(=O)(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)11-17(15,16)12(10(3,4)5)7-6-9(13)14/h8,11H,6-7H2,1-5H3,(H,13,14)
InChIKeyKTGAQIIRANXITJ-UHFFFAOYSA-N
XLogP0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829147
2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
CID 114806125
2-[tert-butyl(propan-2-ylsulfamoyl)amino]-2-methylpropane
CID 58613885
3-[tert-butyl-(2,5-dimethylphenyl)sulfonylamino]propanoic acid
CID 60829315
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
CID 79268548
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
CID 83142369
2-[tert-butyl(3-methylbutylsulfonyl)amino]acetic acid
CID 79269437
3-[tert-butyl(2-pyridin-4-ylethylsulfonyl)amino]propanoic acid
CID 60891514
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
CID 114806347

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid (CID 114805657) is 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid is CC(C)NS(=O)(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid?
The InChIKey is KTGAQIIRANXITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)11-17(15,16)12(10(3,4)5)7-6-9(13)14/h8,11H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid?
3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(propan-2-ylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114805657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).