3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid

C8H14F3NO4S — CID 79792998

IUPAC3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
SMILESCC(C)CS(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-5(2)4-17(15,16)12-7(3,6(13)14)8(9,10)11/h5,12H,4H2,1-3H3,(H,13,14)
InChIKeyVYGLPMJYQXFHIY-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.97
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid

3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid (PubChem CID 79792998) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
PubChem CID79792998
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
SMILESCC(C)CS(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-5(2)4-17(15,16)12-7(3,6(13)14)8(9,10)11/h5,12H,4H2,1-3H3,(H,13,14)
InChIKeyVYGLPMJYQXFHIY-UHFFFAOYSA-N
XLogP0.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid (CID 79792998) is 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid is CC(C)CS(=O)(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid?
The InChIKey is VYGLPMJYQXFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-5(2)4-17(15,16)12-7(3,6(13)14)8(9,10)11/h5,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid?
3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid has a molecular weight of 277.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid is sourced from PubChem (CID 79792998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).