For research use only. Not for therapeutic Use.
2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, 3-oxo-, methyl ester (9CI)(Cat No.:M020616) is a chemically synthesized compound notable for its bicyclic structure that includes an azabicyclohexane core. This core is modified with a keto group (3-oxo-) and a carboxylic acid group, which is further esterified with a methyl group. Such structural elements make it a reactive and versatile molecule, potentially useful as an intermediate in organic synthesis, particularly in pharmaceutical chemistry. It could play a role in the synthesis of more complex molecules designed for drug development, especially those targeting specific biological pathways.
Catalog Number | M020616 |
CAS Number | 116129-05-6 |
Synonyms | 2-Azabicyclo[2.1.1]hexane-1-carboxylicacid,3-oxo-,methylester(9CI) |
Molecular Formula | C7H9NO3 |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | methyl 3-oxo-2-azabicyclo[2.1.1]hexane-1-carboxylate |
InChI | InChI=1S/C7H9NO3/c1-11-6(10)7-2-4(3-7)5(9)8-7/h4H,2-3H2,1H3,(H,8,9) |
InChIKey | CCRHBUGQSJDWFY-UHFFFAOYSA-N |
SMILES | COC(=O)C12CC(C1)C(=O)N2 |