About (3R)-3-amino-1-hydroxypyrrolidin-2-one
(3R)-3-amino-1-hydroxypyrrolidin-2-one (PubChem CID 6603720) has the molecular formula C4H8N2O2
and a molecular weight of 116.12 g/mol. Its IUPAC name is (3R)-3-amino-1-hydroxypyrrolidin-2-one.
Molecular Properties
| Compound Name | (3R)-3-amino-1-hydroxypyrrolidin-2-one |
|---|
| PubChem CID | 6603720 |
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| Molecular Formula | C4H8N2O2 |
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| Molecular Weight | 116.12 g/mol |
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| Exact Mass | 116.06 |
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| IUPAC Name | (3R)-3-amino-1-hydroxypyrrolidin-2-one |
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| SMILES | N[C@@H]1CCN(O)C1=O |
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| InChI | InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1 |
|---|
| InChIKey | HCKUBNLZMKAEIN-GSVOUGTGSA-N |
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| XLogP | -1.06 |
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| TPSA | 66.56 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 |
|---|
| MW ≤ 500 | 116.12 |
| LogP ≤ 5 | -1.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (3R)-3-amino-1-hydroxypyrrolidin-2-one?
The IUPAC name of (3R)-3-amino-1-hydroxypyrrolidin-2-one (CID 6603720) is (3R)-3-amino-1-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R)-3-amino-1-hydroxypyrrolidin-2-one is N[C@@H]1CCN(O)C1=O.
What is the InChIKey of (3R)-3-amino-1-hydroxypyrrolidin-2-one?
The InChIKey is HCKUBNLZMKAEIN-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1.
What are the key properties of (3R)-3-amino-1-hydroxypyrrolidin-2-one?
(3R)-3-amino-1-hydroxypyrrolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-hydroxypyrrolidin-2-one is sourced from PubChem (CID 6603720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).