In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Design and Synthesis of 56 Shape-Diverse 3D Fragments, published in 2020-07-25, which mentions a compound: 1116-98-9, mainly applied to alkyl piperidine pyrrolidine fragment diastereoselective preparation; 3D fragments; conformational diversity; fragment-based drug discovery; medicinal chemistry; synthesis design, Electric Literature of C7H11NO2.
Fragment screening collections were often predominantly populated with flat, 2D mols. A workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) anal.) was described. A key, and unique, underpinning design feature of this fragment collection was that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol-1 above the energy of the global min. energy conformer) was carried out prior to synthesis and was also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six com. libraries, it was clear that our collection was high three-dimensionality and shape diversity.
If you want to learn more about this compound(tert-Butyl 2-cyanoacetate)Electric Literature of C7H11NO2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(1116-98-9).
Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem