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(2S)-4-methylidene-5-oxopyrrolidine-2-carboxylic acid

PubChem CID: 23588662

Connections displayed (default: 10).
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Compound Synonyms SCHEMBL2192065, CHEMBL5274462, AKOS006354861
Topological Polar Surface Area 66.4
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 209.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylic acid
Prediction Hob 1.0
Xlogp -0.2
Molecular Formula C6H7NO3
Prediction Swissadme 0.0
Inchi Key SKPUMUJWZJBTJG-BYPYZUCNSA-N
Fcsp3 0.3333333333333333
Logs -1.499
Rotatable Bond Count 1.0
Logd 0.409
Compound Name (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylic acid
Prediction Hob Swissadme 0.0
Exact Mass 141.043
Formal Charge 0.0
Monoisotopic Mass 141.043
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 141.12
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -0.7308812
Inchi InChI=1S/C6H7NO3/c1-3-2-4(6(9)10)7-5(3)8/h4H,1-2H2,(H,7,8)(H,9,10)/t4-/m0/s1
Smiles C=C1C[C@H](NC1=O)C(=O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Atalantia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Buddleja Cordata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Crambe Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Diospyros Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Fritillaria Ningguoensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Hoffmannia Strigillosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Lemaireocereus Griseus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Ononis Vaginalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Rapanea Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Scorzonera Pseudodivaricata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Syncarpia Hillii (Plant) Rel Props:Source_db:cmaup_ingredients
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