2338-03-6
CNP0119915.1 · C4H7NO3 · View on COCONUT ↗
Identifiers
| Name | 2338-03-6 |
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| IUPAC Name | (2~{S})-2-amino-4-oxo-butanoic acid |
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| COCONUT ID | CNP0119915.1 |
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| InChIKey | HOSWPDPVFBCLSY-VKHMYHEASA-N |
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| InChI | InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1 |
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| SMILES | N[C@@H](CC=O)C(=O)O |
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Properties
| Molecular Formula | C4H7NO3 |
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| Molecular Weight | 117.10 |
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| Exact Mass | 117.04259 |
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| Log P (ALogP) | -1.01 |
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| TPSA | 80.39 |
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| H-Bond Donors / Acceptors | 2 / 3 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.46 |
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| NP-likeness | 1.68 |
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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.
