4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid

C7H13F3N2O4S — CID 114805418

IUPAC4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-12(4-2-3-6(13)14)17(15,16)11-5-7(8,9)10/h11H,2-5H2,1H3,(H,13,14)
InChIKeyAYCXUZFHEZXNTE-UHFFFAOYSA-N
MW278.25 g/mol
LogP0.18
Rot. Bonds7

About 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid

4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid (PubChem CID 114805418) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
PubChem CID114805418
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O4S/c1-12(4-2-3-6(13)14)17(15,16)11-5-7(8,9)10/h11H,2-5H2,1H3,(H,13,14)
InChIKeyAYCXUZFHEZXNTE-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 123398581
(2S)-2-amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 144190614
4-[Methyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 43172920
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 65684305
3,3-Difluoro-4-(methylamino)butanoic acid
CID 105429824
4-(2,2,2-Trifluoroethylsulfamoylamino)butanoic acid
CID 114805170
4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806332
2-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806704
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806731
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
Methyl 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoate
CID 114811561

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid (CID 114805418) is 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid?
The InChIKey is AYCXUZFHEZXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c1-12(4-2-3-6(13)14)17(15,16)11-5-7(8,9)10/h11H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid?
4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid has a molecular weight of 278.25 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 114805418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).