7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H15F3N2O3 — CID 79261711

IUPAC7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)5-15-4-9(17)16-6-1-2-8(16)7(3-6)10(18)19/h6-8,15H,1-5H2,(H,18,19)
InChIKeyFPURQBIYMCEHJL-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.60
Rot. Bonds4

About 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79261711) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79261711
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)5-15-4-9(17)16-6-1-2-8(16)7(3-6)10(18)19/h6-8,15H,1-5H2,(H,18,19)
InChIKeyFPURQBIYMCEHJL-UHFFFAOYSA-N
XLogP0.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic 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 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79261711) is 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)CNCC(F)(F)F.
What is the InChIKey of 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is FPURQBIYMCEHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)5-15-4-9(17)16-6-1-2-8(16)7(3-6)10(18)19/h6-8,15H,1-5H2,(H,18,19).
What are the key properties of 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,2,2-trifluoroethylamino)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79261711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).