3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid

C7H10F3NO5S — CID 79796080

IUPAC3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CS(C)(=O)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-6(5(13)14,7(8,9)10)11-4(12)3-17(2,15)16/h3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDZHLMLVUWKWMEJ-UHFFFAOYSA-N
MW277.22 g/mol
LogP-0.45
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid (PubChem CID 79796080) has the molecular formula C7H10F3NO5S and a molecular weight of 277.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid
PubChem CID79796080
Molecular FormulaC7H10F3NO5S
Molecular Weight277.22 g/mol
Exact Mass277.02
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CS(C)(=O)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-6(5(13)14,7(8,9)10)11-4(12)3-17(2,15)16/h3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDZHLMLVUWKWMEJ-UHFFFAOYSA-N
XLogP-0.45
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid (CID 79796080) is 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid is CC(NC(=O)CS(C)(=O)=O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid?
The InChIKey is DZHLMLVUWKWMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO5S/c1-6(5(13)14,7(8,9)10)11-4(12)3-17(2,15)16/h3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid has a molecular weight of 277.22 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(2-methylsulfonylacetyl)amino]propanoic acid is sourced from PubChem (CID 79796080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).