About 3-amino-2-methylpropane-1,1,1-triol
3-amino-2-methylpropane-1,1,1-triol (PubChem CID 18979369) has the molecular formula C4H11NO3
and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-amino-2-methylpropane-1,1,1-triol.
Molecular Properties
| Compound Name | 3-amino-2-methylpropane-1,1,1-triol |
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| PubChem CID | 18979369 |
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| Molecular Formula | C4H11NO3 |
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| Molecular Weight | 121.14 g/mol |
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| Exact Mass | 121.07 |
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| IUPAC Name | 3-amino-2-methylpropane-1,1,1-triol |
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| SMILES | CC(CN)C(O)(O)O |
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| InChI | InChI=1S/C4H11NO3/c1-3(2-5)4(6,7)8/h3,6-8H,2,5H2,1H3 |
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| InChIKey | ZSJREGLUESMJBH-UHFFFAOYSA-N |
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| XLogP | -1.79 |
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| TPSA | 86.71 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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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 |
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| MW ≤ 500 | 121.14 |
| LogP ≤ 5 | -1.79 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-amino-2-methylpropane-1,1,1-triol?
The IUPAC name of 3-amino-2-methylpropane-1,1,1-triol (CID 18979369) is 3-amino-2-methylpropane-1,1,1-triol.
What is the SMILES notation for 3-amino-2-methylpropane-1,1,1-triol?
The canonical SMILES for 3-amino-2-methylpropane-1,1,1-triol is CC(CN)C(O)(O)O.
What is the InChIKey of 3-amino-2-methylpropane-1,1,1-triol?
The InChIKey is ZSJREGLUESMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-3(2-5)4(6,7)8/h3,6-8H,2,5H2,1H3.
What are the key properties of 3-amino-2-methylpropane-1,1,1-triol?
3-amino-2-methylpropane-1,1,1-triol has a molecular weight of 121.14 g/mol, XLogP of -1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropane-1,1,1-triol is sourced from PubChem (CID 18979369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).