2-amino-N-methylheptanamide
CNP0600257.0 · C8H18N2O · View on COCONUT ↗
Identifiers
| Name | 2-amino-N-methylheptanamide |
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| IUPAC Name | 2-amino-~{N}-methyl-heptanamide |
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| COCONUT ID | CNP0600257.0 |
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| InChIKey | YLBHPLDJISPYOJ-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H18N2O/c1-3-4-5-6-7(9)8(11)10-2/h7H,3-6,9H2,1-2H3,(H,10,11) |
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| SMILES | CCCCCC(N)C(=O)NC |
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Properties
| Molecular Formula | C8H18N2O |
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| Molecular Weight | 158.25 |
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| Exact Mass | 158.14191 |
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| Log P (ALogP) | 0.64 |
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| TPSA | 55.12 |
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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 | 0.58 |
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| NP-likeness | 0.51 |
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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 | Dipeptides |
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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.
