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CAS 145513-91-3

:

(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid

Description:
(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid, with the CAS number 145513-91-3, is a bicyclic compound characterized by its unique structural features, including a saturated indole framework. This compound exhibits chirality due to the presence of multiple stereocenters, which contributes to its potential biological activity. It is typically a white to off-white solid at room temperature and is soluble in polar solvents, such as water and alcohols, due to the presence of the carboxylic acid functional group. The compound may participate in various chemical reactions, including esterification and amidation, owing to its carboxylic acid moiety. Its structural configuration suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychological conditions. Additionally, the stereochemistry of the compound may influence its interaction with biological targets, making it a subject of interest in drug design and synthesis. Overall, (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid represents a significant compound in the realm of organic and medicinal chemistry.
Formula:C9H15NO2
InChI:InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8+/m0/s1
InChI key:InChIKey=CQYBNXGHMBNGCG-BIIVOSGPSA-N
SMILES:C(O)(=O)[C@H]1C[C@]2([C@@](N1)(CCCC2)[H])[H]
Synonyms:
  • (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
  • 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aS,7aS)-
  • 1H-Indole-2-carboxylic acid, octahydro-, [2R-(2α,3aα,7aα)]-
  • D-Octahydroindole-2-carboxylic acid
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