7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H15F3N2O3 — CID 79812149

IUPAC7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(N)(C(=O)N1C2CCC1C(C(=O)O)C2)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-10(15,11(12,13)14)9(19)16-5-2-3-7(16)6(4-5)8(17)18/h5-7H,2-4,15H2,1H3,(H,17,18)
InChIKeyPUFBBILGRIVSRO-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.73
Rot. Bonds2

About 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79812149) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79812149
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(N)(C(=O)N1C2CCC1C(C(=O)O)C2)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-10(15,11(12,13)14)9(19)16-5-2-3-7(16)6(4-5)8(17)18/h5-7H,2-4,15H2,1H3,(H,17,18)
InChIKeyPUFBBILGRIVSRO-UHFFFAOYSA-N
XLogP0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65521161
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CID 65521293
CID 65521293
CID 65521838
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CID 65522253
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CID 65522655
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CID 65522658
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CID 65522659
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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 79812149) is 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC(N)(C(=O)N1C2CCC1C(C(=O)O)C2)C(F)(F)F.
What is the InChIKey of 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is PUFBBILGRIVSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-10(15,11(12,13)14)9(19)16-5-2-3-7(16)6(4-5)8(17)18/h5-7H,2-4,15H2,1H3,(H,17,18).
What are the key properties of 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79812149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).