2-hydroxy-3-oxopropanoic acid
CNP0083603.0 · C3H4O4 · View on COCONUT ↗
Identifiers
| Name | 2-hydroxy-3-oxopropanoic acid |
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| IUPAC Name | 2-hydroxy-3-oxo-propanoic acid |
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| COCONUT ID | CNP0083603.0 |
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| CAS | 2480-77-5 |
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| InChIKey | QWBAFPFNGRFSFB-UHFFFAOYSA-N |
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| InChI | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7) |
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| SMILES | O=CC(O)C(=O)O |
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Properties
| Molecular Formula | C3H4O4 |
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| Molecular Weight | 104.06 |
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| Exact Mass | 104.01096 |
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| Log P (ALogP) | -1.37 |
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| TPSA | 74.60 |
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| H-Bond Donors / Acceptors | 2 / 3 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.33 |
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| NP-likeness | 1.38 |
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Classification
| NP Pathway | |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organic acids and derivatives |
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| Chemical Class | Hydroxy acids and derivatives |
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| Chemical Subclass | Alpha hydroxy acids and derivatives |
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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.
