About prop-2-enyl (2S)-2,3-dihydroxypropanoate
prop-2-enyl (2S)-2,3-dihydroxypropanoate (PubChem CID 11480521) has the molecular formula C6H10O4
and a molecular weight of 146.14 g/mol. Its IUPAC name is prop-2-enyl (2S)-2,3-dihydroxypropanoate.
Molecular Properties
| Compound Name | prop-2-enyl (2S)-2,3-dihydroxypropanoate |
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| PubChem CID | 11480521 |
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| Molecular Formula | C6H10O4 |
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| Molecular Weight | 146.14 g/mol |
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| Exact Mass | 146.06 |
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| IUPAC Name | prop-2-enyl (2S)-2,3-dihydroxypropanoate |
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| SMILES | C=CCOC(=O)[C@@H](O)CO |
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| InChI | InChI=1S/C6H10O4/c1-2-3-10-6(9)5(8)4-7/h2,5,7-8H,1,3-4H2/t5-/m0/s1 |
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| InChIKey | XYQXRHOOSARRCH-YFKPBYRVSA-N |
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| XLogP | -0.93 |
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| TPSA | 66.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 146.14 |
| LogP ≤ 5 | -0.93 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of prop-2-enyl (2S)-2,3-dihydroxypropanoate?
The IUPAC name of prop-2-enyl (2S)-2,3-dihydroxypropanoate (CID 11480521) is prop-2-enyl (2S)-2,3-dihydroxypropanoate.
What is the SMILES notation for prop-2-enyl (2S)-2,3-dihydroxypropanoate?
The canonical SMILES for prop-2-enyl (2S)-2,3-dihydroxypropanoate is C=CCOC(=O)[C@@H](O)CO.
What is the InChIKey of prop-2-enyl (2S)-2,3-dihydroxypropanoate?
The InChIKey is XYQXRHOOSARRCH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O4/c1-2-3-10-6(9)5(8)4-7/h2,5,7-8H,1,3-4H2/t5-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2,3-dihydroxypropanoate?
prop-2-enyl (2S)-2,3-dihydroxypropanoate has a molecular weight of 146.14 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2,3-dihydroxypropanoate is sourced from PubChem (CID 11480521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).