CAS 827599-21-3

3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester, (1α,5α,6β)-

Description:

3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester, (1α,5α,6β)-, with CAS number 827599-21-3, is a bicyclic compound featuring a nitrogen atom in its structure, which contributes to its classification as an azabicyclic compound. This substance is characterized by its bicyclic framework, which includes a carboxylic acid functional group and a hydroxymethyl substituent, enhancing its potential for various chemical reactivity and biological activity. The presence of the tert-butyl ester group suggests that it may exhibit lipophilic properties, potentially influencing its solubility and permeability in biological systems. The stereochemistry indicated by the (1α,5α,6β)- designation implies specific spatial arrangements of the substituents, which can significantly affect the compound's pharmacological properties. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and functional groups that can interact with biological targets.

Formula: C₁₁H₁₉NO₃

InChI: InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9-

InChI key: InChIKey=JVIDPFGQYMFQDZ-AYMMMOKONA-N

SMILES: C(O)[C@H]1[C@@]2([C@]1(CN(C(OC(C)(C)C)=O)C2)[H])[H]

Synonyms:

• 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester, (1α,5α,6β)-

3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(hydroxymethyl)-,1,1-dimethylethyl ester, (1a,5a,6b)-

CAS: 827599-21-3

Formula: C₁₁H₁₉NO₃

Purity: 97%

Molecular weight: 213.2735

Ref: IN-DA00IKR3