(2S,3AS,7aS)-Octahydroindole-2-carboxylic acid

CAS Registry Number®

80875-98-5

CAS Name

(2S,3AS,7aS)-Octahydroindole-2-carboxylic acid

Molecular Formula

C9H15NO2

Molecular Mass

169.22

Cite this Page

(2S,3AS,7aS)-Octahydroindole-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80875-98-5 (retrieved 2024-11-22) (CAS RN: 80875-98-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-269 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=CQYBNXGHMBNGCG-FXQIFTODSA-N

SMILES

C(O)(=O)[C@@H]1C[C@]2([C@@](N1)(CCCC2)[H])[H]

Canonical SMILES

O=C(O)C1NC2CCCCC2C1

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aS)-
  • 1H-Indole-2-carboxylic acid, octahydro-, [2S-(2α,3aβ,7aβ)]-
  • (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
  • (2S,3AS,7aS)-2-carboxyoctahydroindole
  • (2S,3aS,7aS)-perhydroindole-2-carboxylic acid

View All

Deleted or Replaced CAS Registry Numbers

111821-04-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration