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COCONUT Compound

L-ornithine

CNP0102727.1 · C5H12N2O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameL-ornithine
IUPAC Name(2~{S})-2,5-diaminopentanoic acid
COCONUT IDCNP0102727.1
CAS70-26-8, 25104-12-5
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
SMILESNCCC[C@H](N)C(=O)O

Properties

Molecular FormulaC5H12N2O2
Molecular Weight132.16
Exact Mass132.08988
Log P (ALogP)-0.86
TPSA89.34
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.46
NP-likeness1.59

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

Nicotiana tabacum as “Nicotiana Tabacum; Nicotiana tabacum (L.)” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (57)

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  31. 10.1038/srep03698
  32. 10.1039/C8GC04066D
  33. 10.1055/S-0028-1097581
  34. 10.1073/PNAS.73.10.3502
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  40. 10.1111/J.1365-2621.1987.TB13989.X

Showing 40 of 57. 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.