|
Menu

COCONUT Compound

L-proline

CNP0219104.1 · C5H9NO2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-proline
IUPAC Name(2~{S})-pyrrolidine-2-carboxylic acid
COCONUT IDCNP0219104.1
CAS147-85-3, 37159-97-0, 4305-67-3
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
SMILESO=C(O)[C@@H]1CCCN1

Properties

Molecular FormulaC5H9NO2
Molecular Weight115.13
Exact Mass115.06333
Log P (ALogP)-0.18
TPSA49.33
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.50
NP-likeness0.98

Classification

NP PathwayAmino acids and Peptides
NP SuperclassSmall peptides
NP ClassAminoacids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassCarboxylic acids and derivatives
Chemical SubclassAmino acids, peptides, and analogues

Reported in GR-MAPs Plants

Papaver somniferum as “Papaver somniferum” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha X piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Gloriosa superba as “Gloriosa superba” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (103)

  1. 10.1002/JPS.3030350906
  2. 10.1002/JSFA.9887
  3. 10.1002/PLD3.202
  4. 10.1002/bit.25588
  5. 10.1007/BF00563657
  6. 10.1007/BF00576124
  7. 10.1007/BF00600846
  8. 10.1007/BF00607552
  9. 10.1007/BF02660305
  10. 10.1007/BF02666050
  11. 10.1007/S10600-010-9710-6
  12. 10.1007/S11240-012-0199-5
  13. 10.1007/S11306-007-0058-2
  14. 10.1007/S11306-008-0128-0
  15. 10.1007/S11306-016-1051-4
  16. 10.1007/S11306-017-1284-X
  17. 10.1007/S11306-019-1503-8
  18. 10.1007/s10295-015-1692-8
  19. 10.1007/s11306-009-0178-y
  20. 10.1016/0008-6215(84)85339-2
  21. 10.1016/0031-9422(71)85055-0
  22. 10.1016/0041-0101(89)90038-X
  23. 10.1016/0305-1978(74)90007-6
  24. 10.1016/0305-1978(84)90052-8
  25. 10.1016/0305-1978(86)90092-X
  26. 10.1016/0378-8741(94)90005-1
  27. 10.1016/0378-8741(96)01416-X
  28. 10.1016/0889-1575(91)90022-X
  29. 10.1016/B978-0-08-020367-6.50007-6
  30. 10.1016/J.ENVINT.2009.12.006
  31. 10.1016/J.FITOTE.2005.08.020
  32. 10.1016/J.FOODCHEM.2010.12.081
  33. 10.1016/J.FOODCHEM.2019.125649
  34. 10.1016/J.IJFOODMICRO.2013.03.002
  35. 10.1016/J.PHYTOCHEM.2009.09.018
  36. 10.1016/J.PLAPHY.2015.04.008
  37. 10.1016/J.PLAPHY.2018.04.029
  38. 10.1016/J.PLAPHY.2018.08.024
  39. 10.1016/S0021-9673(01)97854-9
  40. 10.1016/S0031-9422(00)80521-X

Showing 40 of 103. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.