Cas no 913741-98-7 (3-Pyrrolidinecarboxylic acid, 1-[1,1'-bicyclohexyl]-2-yl-5-oxo-)

3-Pyrrolidinecarboxylic acid, 1-[1,1'-bicyclohexyl]-2-yl-5-oxo- structure
913741-98-7 structure
Product Name:3-Pyrrolidinecarboxylic acid, 1-[1,1'-bicyclohexyl]-2-yl-5-oxo-
CAS No:913741-98-7
MF:C17H27NO3
MW:293.401185274124
CID:749252
PubChem ID:71423127
Update Time:2025-04-19

3-Pyrrolidinecarboxylic acid, 1-[1,1'-bicyclohexyl]-2-yl-5-oxo- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidinecarboxylic acid, 1-[1,1'-bicyclohexyl]-2-yl-5-oxo-
    • 1-(2-cyclohexylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
    • DTXSID40842087
    • 1-[[1,1'-Bi(cyclohexane)]-2-yl]-5-oxopyrrolidine-3-carboxylic acid
    • 913741-98-7
    • Inchi: 1S/C17H27NO3/c19-16-10-13(17(20)21)11-18(16)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h12-15H,1-11H2,(H,20,21)
    • InChI Key: QDGNDDSUXSBXMX-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)O)CN1C1CCCCC1C1CCCCC1

Computed Properties

  • Exact Mass: 293.19909372g/mol
  • Monoisotopic Mass: 293.19909372g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 403
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 57.6?2
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