4-(carbamimidoylcarbamoylamino)butanoic acid
CNP0526662.0 · C6H12N4O3 · View on COCONUT ↗
Identifiers
| Name | 4-(carbamimidoylcarbamoylamino)butanoic acid |
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| IUPAC Name | 4-(carbamimidoylcarbamoylamino)butanoic acid |
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| COCONUT ID | CNP0526662.0 |
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| InChIKey | JWHFOLCKXAISQP-UHFFFAOYSA-N |
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| InChI | InChI=1S/C6H12N4O3/c7-5(8)10-6(13)9-3-1-2-4(11)12/h1-3H2,(H,11,12)(H5,7,8,9,10,13) |
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| SMILES | N=C(N)NC(=O)NCCCC(=O)O |
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Properties
| Molecular Formula | C6H12N4O3 |
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| Molecular Weight | 188.19 |
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| Exact Mass | 188.09094 |
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| Log P (ALogP) | -0.96 |
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| TPSA | 128.30 |
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| H-Bond Donors / Acceptors | 5 / 3 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.22 |
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| NP-likeness | -0.46 |
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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.
