3-(trifluoromethylsulfonylamino)butanoic acid

C5H8F3NO4S — CID 43172959

IUPAC3-(trifluoromethylsulfonylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-3(2-4(10)11)9-14(12,13)5(6,7)8/h3,9H,2H2,1H3,(H,10,11)
InChIKeyYCXBRURWUQCDOT-UHFFFAOYSA-N
MW235.18 g/mol
LogP0.29
Rot. Bonds4

About 3-(trifluoromethylsulfonylamino)butanoic acid

3-(trifluoromethylsulfonylamino)butanoic acid (PubChem CID 43172959) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylamino)butanoic acid
PubChem CID43172959
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name3-(trifluoromethylsulfonylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-3(2-4(10)11)9-14(12,13)5(6,7)8/h3,9H,2H2,1H3,(H,10,11)
InChIKeyYCXBRURWUQCDOT-UHFFFAOYSA-N
XLogP0.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylamino)butanoic acid?
The IUPAC name of 3-(trifluoromethylsulfonylamino)butanoic acid (CID 43172959) is 3-(trifluoromethylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-(trifluoromethylsulfonylamino)butanoic acid?
The canonical SMILES for 3-(trifluoromethylsulfonylamino)butanoic acid is CC(CC(=O)O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylamino)butanoic acid?
The InChIKey is YCXBRURWUQCDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-3(2-4(10)11)9-14(12,13)5(6,7)8/h3,9H,2H2,1H3,(H,10,11).
What are the key properties of 3-(trifluoromethylsulfonylamino)butanoic acid?
3-(trifluoromethylsulfonylamino)butanoic acid has a molecular weight of 235.18 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylamino)butanoic acid is sourced from PubChem (CID 43172959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).