2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid

C5H8F3NO4S — CID 23236625

IUPAC2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid
SMILESCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C5H8F3NO4S/c1-4(2,3(10)11)9-14(12,13)5(6,7)8/h9H,1-2H3,(H,10,11)
InChIKeyIVFISMHSKWULNS-UHFFFAOYSA-N
MW235.18 g/mol
LogP0.29
Rot. Bonds3

About 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid

2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid (PubChem CID 23236625) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid
PubChem CID23236625
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid
SMILESCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C5H8F3NO4S/c1-4(2,3(10)11)9-14(12,13)5(6,7)8/h9H,1-2H3,(H,10,11)
InChIKeyIVFISMHSKWULNS-UHFFFAOYSA-N
XLogP0.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid (CID 23236625) is 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid is CC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid?
The InChIKey is IVFISMHSKWULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-4(2,3(10)11)9-14(12,13)5(6,7)8/h9H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid?
2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid has a molecular weight of 235.18 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 23236625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).