6-aminohexanoic acid
CNP0337210.0 · C6H13NO2 · View on COCONUT ↗
Identifiers
| Name | 6-aminohexanoic acid |
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| IUPAC Name | 6-aminohexanoic acid |
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| COCONUT ID | CNP0337210.0 |
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| CAS | 60-32-2, 1319-82-0 |
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| InChIKey | SLXKOJJOQWFEFD-UHFFFAOYSA-N |
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| InChI | InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) |
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| SMILES | NCCCCCC(=O)O |
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Properties
| Molecular Formula | C6H13NO2 |
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| Molecular Weight | 131.18 |
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| Exact Mass | 131.09463 |
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| Log P (ALogP) | 0.59 |
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| TPSA | 63.32 |
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| H-Bond Donors / Acceptors | 2 / 2 |
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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 | 0.54 |
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| NP-likeness | 0.99 |
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Classification
| NP Pathway | Amino acids and Peptides |
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| NP Superclass | Fatty Acids and Conjugates |
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| NP Class | Amino fatty acids |
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| Chemical Superclass | Lipids and lipid-like molecules |
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| Chemical Class | Fatty Acyls |
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| Chemical Subclass | Fatty acids and conjugates |
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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.
