3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid

C8H15F3N2O4S — CID 114805975

IUPAC3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-3-13(4-6(2)7(14)15)18(16,17)12-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyCJHRZYUAXVDEEU-UHFFFAOYSA-N
MW292.28 g/mol
LogP0.43
Rot. Bonds7

About 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid

3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid (PubChem CID 114805975) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid
PubChem CID114805975
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O4S/c1-3-13(4-6(2)7(14)15)18(16,17)12-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyCJHRZYUAXVDEEU-UHFFFAOYSA-N
XLogP0.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Methyl-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684170
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 65684305
3-[Methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoic acid
CID 65685000
3-[[Butyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65685920
3-[Methyl-[propyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65685922
3-[[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65686339
3-[Methyl-[methyl(3,3,3-trifluoropropyl)sulfamoyl]amino]propanoic acid
CID 65686575
3-[Methyl-[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65686888
3-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-2-methylpropanoic acid
CID 84814818
2-[[3-[Ethyl(methylsulfonyl)amino]propylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 103241571
3-[(2,2-Difluoro-3-hydroxypropyl)sulfamoyl-methylamino]propanoic acid
CID 106168664
3-[Methyl(5,5,5-trifluoropentylsulfamoyl)amino]propanoic acid
CID 113326851

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid (CID 114805975) is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid?
The InChIKey is CJHRZYUAXVDEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O4S/c1-3-13(4-6(2)7(14)15)18(16,17)12-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid?
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid has a molecular weight of 292.28 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114805975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).