About (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 11811717) has the molecular formula C21H23N3O6
and a molecular weight of 413.43 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.
Molecular Properties
| Compound Name | (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide |
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| PubChem CID | 11811717 |
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| Molecular Formula | C21H23N3O6 |
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| Molecular Weight | 413.43 g/mol |
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| Exact Mass | 413.16 |
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| IUPAC Name | (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide |
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| SMILES | C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C1=O |
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| InChI | InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-7-9-17(10-8-16)30-13-15-5-3-4-6-18(15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1 |
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| InChIKey | UGIVRDOCHMXQLW-SZNDQCEHSA-N |
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| XLogP | 2.56 |
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| TPSA | 122.01 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 30 |
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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 | 413.43 |
| LogP ≤ 5 | 2.56 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide (CID 11811717) is (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C1=O.
What is the InChIKey of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is UGIVRDOCHMXQLW-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-7-9-17(10-8-16)30-13-15-5-3-4-6-18(15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide?
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 413.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11811717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).