(2S)-2-amino-5-(carbamimidoylcarbamoylamino)pentanoic acid
CNP0304423.1 · C7H15N5O3 · View on COCONUT ↗
Identifiers
| Name | (2S)-2-amino-5-(carbamimidoylcarbamoylamino)pentanoic acid |
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| IUPAC Name | (2~{S})-2-amino-5-(carbamimidoylcarbamoylamino)pentanoic acid |
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| COCONUT ID | CNP0304423.1 |
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| InChIKey | XUQOUAIMZATHGP-BYPYZUCNSA-N |
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| InChI | InChI=1S/C7H15N5O3/c8-4(5(13)14)2-1-3-11-7(15)12-6(9)10/h4H,1-3,8H2,(H,13,14)(H5,9,10,11,12,15)/t4-/m0/s1 |
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| SMILES | N=C(N)NC(=O)NCCC[C@H](N)C(=O)O |
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Properties
| Molecular Formula | C7H15N5O3 |
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| Molecular Weight | 217.23 |
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| Exact Mass | 217.11749 |
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| Log P (ALogP) | -1.63 |
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| TPSA | 154.32 |
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| H-Bond Donors / Acceptors | 6 / 4 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.19 |
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| NP-likeness | 0.11 |
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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.
