CAS 1027343-58-3

Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-amino-6,6-dimethyl-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,5R)-

Description:

Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-amino-6,6-dimethyl-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,5R)- is a complex organic compound characterized by its bicyclic structure, which consists of a seven-membered ring system. The presence of a carboxylic acid functional group and an amino group indicates that it has both acidic and basic properties, making it a zwitterionic compound in certain conditions. The ethyl ester moiety suggests that it can undergo hydrolysis to release the corresponding carboxylic acid. The specific stereochemistry denoted by the (1R,2R,3S,5R) configuration indicates the spatial arrangement of the substituents around the chiral centers, which can significantly influence the compound's biological activity and interactions. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its potential applications in pharmaceuticals. Overall, this compound's unique structural features and functional groups contribute to its potential utility in medicinal chemistry and related fields.

Formula: C₁₂H₂₁NO₂·ClH

InChI: InChI=1S/C12H21NO2.ClH/c1-4-15-11(14)8-5-7-6-9(10(8)13)12(7,2)3;/h7-10H,4-6,13H2,1-3H3;1H/t7-,8-,9-,10-;/m0./s1

InChI key: InChIKey=HOPRBAXUPWEUQB-AQZMEQOXSA-N

SMILES: CC1(C)[C@@]2([C@@H](N)[C@@H](C(OCC)=O)C[C@]1(C2)[H])[H].Cl

Synonyms:

• Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-amino-6,6-dimethyl-, ethyl ester, hydrochloride (1:1), (1R,2R,3S,5R)-

Ethyl (1R,2R,3S,5R)-2-amino-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylate hydrochloride

CAS: 1027343-58-3

Ethyl (1R,2R,3S,5R)-2-amino-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylate hydrochloride

Purity: ≥95%

Molecular weight: 247.76g/mol

Ref: 54-OR309437