About (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium
(Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium (PubChem CID 12917310) has the molecular formula C4H9N3O3
and a molecular weight of 147.13 g/mol. Its IUPAC name is (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium.
Molecular Properties
| Compound Name | (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium |
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| PubChem CID | 12917310 |
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| Molecular Formula | C4H9N3O3 |
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| Molecular Weight | 147.13 g/mol |
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| Exact Mass | 147.06 |
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| IUPAC Name | (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium |
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| SMILES | CCO/N=[N+](\[O-])CC(N)=O |
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| InChI | InChI=1S/C4H9N3O3/c1-2-10-6-7(9)3-4(5)8/h2-3H2,1H3,(H2,5,8)/b7-6- |
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| InChIKey | WAZDUZSDECTCBR-SREVYHEPSA-N |
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| XLogP | -0.61 |
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| TPSA | 90.75 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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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 |
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| MW ≤ 500 | 147.13 |
| LogP ≤ 5 | -0.61 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium?
The IUPAC name of (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium (CID 12917310) is (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium.
What is the SMILES notation for (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium?
The canonical SMILES for (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium is CCO/N=[N+](\[O-])CC(N)=O.
What is the InChIKey of (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium?
The InChIKey is WAZDUZSDECTCBR-SREVYHEPSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-2-10-6-7(9)3-4(5)8/h2-3H2,1H3,(H2,5,8)/b7-6-.
What are the key properties of (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium?
(Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium has a molecular weight of 147.13 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-amino-2-oxoethyl)-ethoxyimino-oxidoazanium is sourced from PubChem (CID 12917310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).