CAS 1357353-13-9

rel-2-(1,1-Dimethylethyl) (4aR,6R,7aR)-octahydro-2H-cyclopenta[c]pyridine-2,6-dicarboxylate

Description:

The chemical substance known as rel-2-(1,1-Dimethylethyl) (4aR,6R,7aR)-octahydro-2H-cyclopenta[c]pyridine-2,6-dicarboxylate, with the CAS number 1357353-13-9, is a bicyclic compound featuring a nitrogen-containing heterocycle. This compound is characterized by its octahydro structure, indicating it has multiple saturated carbon rings, which contributes to its stability and potential biological activity. The presence of the dimethylethyl group suggests that it may exhibit hydrophobic properties, influencing its solubility and interaction with biological membranes. The dicarboxylate functional groups indicate potential for forming salts or esters, which can enhance its reactivity and solubility in various solvents. Additionally, the stereochemistry denoted by the (4aR,6R,7aR) configuration implies specific spatial arrangements of atoms, which can significantly affect the compound's pharmacological properties and interactions with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its unique structural features.

Formula: C₁₄H₂₃NO₄

InChI: InChI=1/C14H23NO4/c1-14(2,3)19-13(18)15-5-4-9-6-10(12(16)17)7-11(9)8-15/h9-11H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-/s2

InChI key: InChIKey=UOOPTOQNDBQEDV-PJPQYYKPNA-N

SMILES: C(OC(C)(C)C)(=O)N1C[C@]2([C@](C[C@@H](C(O)=O)C2)(CC1)[H])[H]

Synonyms:

• rel-2-(1,1-Dimethylethyl) (4aR,6R,7aR)-octahydro-2H-cyclopenta[c]pyridine-2,6-dicarboxylate
• 2H-Cyclopenta[c]pyridine-2,6-dicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester, (4aR,6R,7aR)-rel-