About (3S)-3-hydroxypyrrolidine-2,5-dione
(3S)-3-hydroxypyrrolidine-2,5-dione (PubChem CID 66575038) has the molecular formula C4H5NO3
and a molecular weight of 115.09 g/mol. Its IUPAC name is (3S)-3-hydroxypyrrolidine-2,5-dione.
Molecular Properties
| Compound Name | (3S)-3-hydroxypyrrolidine-2,5-dione |
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| PubChem CID | 66575038 |
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| Molecular Formula | C4H5NO3 |
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| Molecular Weight | 115.09 g/mol |
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| Exact Mass | 115.03 |
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| IUPAC Name | (3S)-3-hydroxypyrrolidine-2,5-dione |
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| SMILES | O=C1C[C@H](O)C(=O)N1 |
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| InChI | InChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h2,6H,1H2,(H,5,7,8)/t2-/m0/s1 |
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| InChIKey | JDXQWYKOKYUQDN-REOHCLBHSA-N |
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| XLogP | -1.61 |
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| TPSA | 66.40 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 115.09 |
| LogP ≤ 5 | -1.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (3S)-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-hydroxypyrrolidine-2,5-dione (CID 66575038) is (3S)-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-hydroxypyrrolidine-2,5-dione is O=C1C[C@H](O)C(=O)N1.
What is the InChIKey of (3S)-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is JDXQWYKOKYUQDN-REOHCLBHSA-N. The full InChI is InChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h2,6H,1H2,(H,5,7,8)/t2-/m0/s1.
What are the key properties of (3S)-3-hydroxypyrrolidine-2,5-dione?
(3S)-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 115.09 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 66575038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).