structure of 1-(1-azabicyclo[2.2.2]oct-3-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

1-(1-azabicyclo[2.2.2]oct-3-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.: 1000930-76-6
M. Wt: 248.32
M. Fa: C14H20N2O2
InChI Key: KAHMWPLCHVMYEH-UHFFFAOYSA-N

Names and Identifiers of 1000930-76-6

CAS Number

1000930-76-6

EC Number

845-906-4

IUPAC Name

1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylpyrrole-3-carboxylic acid

InChI

InChI=1S/C14H20N2O2/c1-9-7-12(14(17)18)10(2)16(9)13-8-15-5-3-11(13)4-6-15/h7,11,13H,3-6,8H2,1-2H3,(H,17,18)

InChIKey

KAHMWPLCHVMYEH-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=C(N1C2CN3CCC2CC3)C)C(=O)O

Physical and chemical properties of 1000930-76-6

Molecular Formula

C14H20N2O2

Molecular Weight

248.32

Safety Information of 1000930-76-6

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000930-76-6

The unique structure and properties of 1-(1-azabicyclo[2.2.2]oct-3-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid make it valuable in several fields:

  • Pharmaceuticals: Potential development as a therapeutic agent due to its biological activity.
  • Material Science: Possible use in creating novel materials with specific electronic or optical properties.
  • Research Reagents: Employed as a reagent in chemical synthesis and biological assays due to its reactive functional groups.

Interaction Studies of 1000930-76-6

Interaction studies involving 1-(1-azabicyclo[2.2.2]oct-3-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid focus on its binding affinity with various biological targets:

  • Protein Binding: Investigations into how this compound interacts with proteins can provide insights into its potential therapeutic effects.
  • Receptor Interaction: Studies may also explore its affinity for neurotransmitter receptors, which could elucidate its neuroactive properties.

Such studies are essential for understanding the pharmacokinetics and pharmacodynamics associated with this compound.