About 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid
2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid (PubChem CID 118362410) has the molecular formula C15H22N2O9P2
and a molecular weight of 436.29 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid.
Molecular Properties
| Compound Name | 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid |
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| PubChem CID | 118362410 |
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| Molecular Formula | C15H22N2O9P2 |
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| Molecular Weight | 436.29 g/mol |
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| Exact Mass | 436.08 |
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| IUPAC Name | 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid |
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| SMILES | O=C(CCP(=O)(O)CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1CCCC1=O |
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| InChI | InChI=1S/C15H22N2O9P2/c18-12-3-4-13(19)16(12)7-9-28(24,25)11-10-27(22,23)8-5-15(21)26-17-6-1-2-14(17)20/h3-4H,1-2,5-11H2,(H,22,23)(H,24,25) |
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| InChIKey | LFAJDXDVURDOLD-UHFFFAOYSA-N |
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| XLogP | -0.08 |
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| TPSA | 158.59 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 28 |
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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 | 436.29 |
| LogP ≤ 5 | -0.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid (CID 118362410) is 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid is O=C(CCP(=O)(O)CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1CCCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid?
The InChIKey is LFAJDXDVURDOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O9P2/c18-12-3-4-13(19)16(12)7-9-28(24,25)11-10-27(22,23)8-5-15(21)26-17-6-1-2-14(17)20/h3-4H,1-2,5-11H2,(H,22,23)(H,24,25).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid?
2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid has a molecular weight of 436.29 g/mol, XLogP of -0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl-[2-[hydroxy-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphoryl]ethyl]phosphinic acid is sourced from PubChem (CID 118362410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).