Cas no 794499-96-0 ((2S)-2-Methyloctahydro-1H-indole-2-carboxylic acid)

(2S)-2-Methyloctahydro-1H-indole-2-carboxylic acid structure
794499-96-0 structure
Product Name:(2S)-2-Methyloctahydro-1H-indole-2-carboxylic acid
CAS No:794499-96-0
MF:C10H17NO2
MW:183.24748301506
CID:2851642
Update Time:2023-08-09

(2S)-2-Methyloctahydro-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (2S)-2-Methyloctahydro-1H-indole-2-carboxylic acid
    • (2S)-2-Methyl-octahydroindole-2-carboxylic acid
    • H-aMeOic(3axi,7axi)-OH
    • SB45244
    • (2S)-2-Methyl-octahydro-indole-2-carboxylic acid
    • A927769
    • (2S)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
    • Inchi: 1S/C10H17NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t7?,8?,10-/m0/s1
    • InChI Key: WBAFZRWAQJBNFG-KTOWXAHTSA-N
    • SMILES: OC([C@]1(C)CC2CCCCC2N1)=O

Computed Properties

  • Exact Mass: 183.126
  • Monoisotopic Mass: 183.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 229
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 49.3
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