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4-[(2R)-2-[(3S,5S)-3,5-dimethyl-6-oxocyclohexen-1-yl]-2-hydroxyethyl]piperidine-2,6-dione

PubChem CID: 163085233

Connections displayed (default: 10).
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Topological Polar Surface Area 83.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 452.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name 4-[(2R)-2-[(3S,5S)-3,5-dimethyl-6-oxocyclohexen-1-yl]-2-hydroxyethyl]piperidine-2,6-dione
Prediction Hob 1.0
Xlogp 0.9
Molecular Formula C15H21NO4
Prediction Swissadme 1.0
Inchi Key GCCDDVHZHSSEMD-HOTUBEGUSA-N
Fcsp3 0.6666666666666666
Logs -1.956
Rotatable Bond Count 3.0
Logd -0.554
Compound Name 4-[(2R)-2-[(3S,5S)-3,5-dimethyl-6-oxocyclohexen-1-yl]-2-hydroxyethyl]piperidine-2,6-dione
Prediction Hob Swissadme 1.0
Exact Mass 279.147
Formal Charge 0.0
Monoisotopic Mass 279.147
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 279.33
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -2.1172831999999997
Inchi InChI=1S/C15H21NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h4,8-10,12,17H,3,5-7H2,1-2H3,(H,16,18,19)/t8-,9-,12+/m0/s1
Smiles C[C@H]1C[C@@H](C(=O)C(=C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients
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