About 2-amino-3-azidopropan-1-ol
2-amino-3-azidopropan-1-ol (PubChem CID 20578389) has the molecular formula C3H8N4O
and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-amino-3-azidopropan-1-ol.
Molecular Properties
| Compound Name | 2-amino-3-azidopropan-1-ol |
|---|
| PubChem CID | 20578389 |
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| Molecular Formula | C3H8N4O |
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| Molecular Weight | 116.12 g/mol |
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| Exact Mass | 116.07 |
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| IUPAC Name | 2-amino-3-azidopropan-1-ol |
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| SMILES | [N-]=[N+]=NCC(N)CO |
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| InChI | InChI=1S/C3H8N4O/c4-3(2-8)1-6-7-5/h3,8H,1-2,4H2 |
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| InChIKey | OSFJWODCNMRFDQ-UHFFFAOYSA-N |
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| XLogP | -0.38 |
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| TPSA | 95.01 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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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 | -0.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-amino-3-azidopropan-1-ol?
The IUPAC name of 2-amino-3-azidopropan-1-ol (CID 20578389) is 2-amino-3-azidopropan-1-ol.
What is the SMILES notation for 2-amino-3-azidopropan-1-ol?
The canonical SMILES for 2-amino-3-azidopropan-1-ol is [N-]=[N+]=NCC(N)CO.
What is the InChIKey of 2-amino-3-azidopropan-1-ol?
The InChIKey is OSFJWODCNMRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O/c4-3(2-8)1-6-7-5/h3,8H,1-2,4H2.
What are the key properties of 2-amino-3-azidopropan-1-ol?
2-amino-3-azidopropan-1-ol has a molecular weight of 116.12 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-azidopropan-1-ol is sourced from PubChem (CID 20578389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).