About bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) (PubChem CID 56845736) has the molecular formula C24H32N4O12Rh2
and a molecular weight of 774.35 g/mol. Its IUPAC name is bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)).
Molecular Properties
| Compound Name | bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) |
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| PubChem CID | 56845736 |
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| Molecular Formula | C24H32N4O12Rh2 |
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| Molecular Weight | 774.35 g/mol |
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| Exact Mass | 774.01 |
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| IUPAC Name | bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) |
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| SMILES | COC(=O)[C@@H]1CCC(=O)[N-]1.COC(=O)[C@@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.[Rh+2].[Rh+2] |
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| InChI | InChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/q;;;;2*+2/p-4/t4*4-;;/m1100../s1 |
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| InChIKey | BJHLPXCDLYHGIN-BZYXDPOGSA-J |
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| XLogP | 0.88 |
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| TPSA | 229.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 774.35 |
| LogP ≤ 5 | 0.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The IUPAC name of bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) (CID 56845736) is bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)).
What is the SMILES notation for bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The canonical SMILES for bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) is COC(=O)[C@@H]1CCC(=O)[N-]1.COC(=O)[C@@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.[Rh+2].[Rh+2].
What is the InChIKey of bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The InChIKey is BJHLPXCDLYHGIN-BZYXDPOGSA-J. The full InChI is InChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/q;;;;2*+2/p-4/t4*4-;;/m1100../s1.
What are the key properties of bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) has a molecular weight of 774.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(methyl (2S)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) is sourced from PubChem (CID 56845736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).