CAS 73836-88-1

3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, hydrochloride (1:1), (1R,2S,5S)-rel-

Description:

3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, hydrochloride (1:1), (1R,2S,5S)-rel- is a bicyclic compound characterized by its unique azabicyclic structure, which includes a nitrogen atom within a six-membered ring. This compound features a carboxylic acid functional group, contributing to its acidic properties and potential for forming salts, such as the hydrochloride form. The specific stereochemistry indicated by the (1R,2S,5S) configuration suggests that it possesses chiral centers, which can influence its biological activity and interactions. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in pharmaceutical applications. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of drugs targeting the central nervous system or other biological pathways. Its structural characteristics and stereochemistry are crucial for understanding its reactivity, pharmacokinetics, and potential therapeutic effects.

Formula: C₆H₉NO₂·ClH

InChI: InChI=1/C6H9NO2.ClH/c8-6(9)5-4-1-3(4)2-7-5;/h3-5,7H,1-2H2,(H,8,9);1H/t3-,4-,5+;/s2

InChI key: InChIKey=KWBHCTGCOVQKMK-DERHTZTHNA-N

SMILES: C(O)(=O)[C@H]1[C@@]2([C@@](C2)(CN1)[H])[H].Cl

Synonyms:

• 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, hydrochloride (1:1), (1R,2S,5S)-rel-
• 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, hydrochloride, (1α,2β,5α)-
• 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, hydrochloride, (1α,2β,5α)-(±)-

(1R,2S,5S)-rel-3-Azabicyclo[3.1.0]hexane-2-carboxylic Acid Hydrochloride

CAS: 73836-88-1

Formula: C₆H₁₀ClNO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 163.6021

Ref: IN-DA00ILBF