About [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol
[2-(3-methyloxiran-2-yl)ethylamino]oxymethanol (PubChem CID 163665344) has the molecular formula C6H13NO3
and a molecular weight of 147.17 g/mol. Its IUPAC name is [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol.
Molecular Properties
| Compound Name | [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol |
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| PubChem CID | 163665344 |
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| Molecular Formula | C6H13NO3 |
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| Molecular Weight | 147.17 g/mol |
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| Exact Mass | 147.09 |
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| IUPAC Name | [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol |
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| SMILES | CC1OC1CCNOCO |
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| InChI | InChI=1S/C6H13NO3/c1-5-6(10-5)2-3-7-9-4-8/h5-8H,2-4H2,1H3 |
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| InChIKey | IXYGULBUMUWNFE-UHFFFAOYSA-N |
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| XLogP | -0.37 |
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| TPSA | 54.02 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 147.17 |
| LogP ≤ 5 | -0.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol?
The IUPAC name of [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol (CID 163665344) is [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol.
What is the SMILES notation for [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol?
The canonical SMILES for [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol is CC1OC1CCNOCO.
What is the InChIKey of [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol?
The InChIKey is IXYGULBUMUWNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5-6(10-5)2-3-7-9-4-8/h5-8H,2-4H2,1H3.
What are the key properties of [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol?
[2-(3-methyloxiran-2-yl)ethylamino]oxymethanol has a molecular weight of 147.17 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyloxiran-2-yl)ethylamino]oxymethanol is sourced from PubChem (CID 163665344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).