L-arginine
CNP0479681.1 · C6H14N4O2 · View on COCONUT ↗
Identifiers
| Name | L-arginine |
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| IUPAC Name | (2~{S})-2-amino-5-guanidino-pentanoic acid |
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| COCONUT ID | CNP0479681.1 |
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| CAS | 74-79-3, 4455-52-1 |
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| InChIKey | ODKSFYDXXFIFQN-BYPYZUCNSA-N |
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| InChI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 |
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| SMILES | NC(N)=NCCC[C@H](N)C(=O)O |
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Properties
| Molecular Formula | C6H14N4O2 |
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| Molecular Weight | 174.20 |
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| Exact Mass | 174.11168 |
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| Log P (ALogP) | -1.55 |
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| TPSA | 127.72 |
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| H-Bond Donors / Acceptors | 4 / 3 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.23 |
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| NP-likeness | 1.75 |
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Classification
| NP Pathway | Amino acids and Peptides |
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| NP Superclass | Small peptides |
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| NP Class | Aminoacids |
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| Chemical Superclass | Organic acids and derivatives |
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| Chemical Class | Carboxylic acids and derivatives |
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| Chemical Subclass | Amino acids, peptides, and analogues |
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Reported in GR-MAPs Plants
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.
