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COCONUT Compound

L-leucine

CNP0201141.1 · C6H13NO2 · View on COCONUT ↗

2D Structure

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Identifiers

NameL-leucine
IUPAC Name(2~{S})-2-amino-4-methyl-pentanoic acid
COCONUT IDCNP0201141.1
CAS61-90-5, 71000-80-1, 25248-98-0
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
SMILESCC(C)C[C@H](N)C(=O)O

Properties

Molecular FormulaC6H13NO2
Molecular Weight131.18
Exact Mass131.09463
Log P (ALogP)0.44
TPSA63.32
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.58
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

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Daucus carota as “Daucus carota” 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 (101)

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  18. 10.1007/S11306-016-1051-4
  19. 10.1007/S11306-017-1284-X
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  21. 10.1016/0031-9422(71)85055-0
  22. 10.1016/0041-0101(89)90038-X
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  24. 10.1016/0378-8741(96)01416-X
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  27. 10.1016/J.IJFOODMICRO.2013.03.002
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  29. 10.1016/S0031-9422(00)80544-0
  30. 10.1016/S0031-9422(00)83785-1
  31. 10.1016/S0031-9422(00)90576-4
  32. 10.1016/S0731-7085(98)00094-6
  33. 10.1016/j.foodres.2017.10.005
  34. 10.1016/j.jchromb.2008.05.001
  35. 10.1021/ACSSYNBIO.8B00158
  36. 10.1021/CB3004226
  37. 10.1021/JF00011A007
  38. 10.1021/JF00017A016
  39. 10.1021/JF00093A051
  40. 10.1021/JF00102A014

Showing 40 of 101. 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.