About 2-amino-2-methylpropane-1,3-diol
2-amino-2-methylpropane-1,3-diol (PubChem CID 135038163) has the molecular formula C4H10NO2+
and a molecular weight of 104.13 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol.
Molecular Properties
| Compound Name | 2-amino-2-methylpropane-1,3-diol |
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| PubChem CID | 135038163 |
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| Molecular Formula | C4H10NO2+ |
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| Molecular Weight | 104.13 g/mol |
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| Exact Mass | 104.07 |
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| IUPAC Name | 2-amino-2-methylpropane-1,3-diol |
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| SMILES | [CH2+]C(N)(CO)CO |
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| InChI | InChI=1S/C4H10NO2/c1-4(5,2-6)3-7/h6-7H,1-3,5H2/q+1 |
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| InChIKey | UUHKJHDBDKXNKX-UHFFFAOYSA-N |
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| XLogP | -1.50 |
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| TPSA | 66.48 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 7 |
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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 | 104.13 |
| LogP ≤ 5 | -1.50 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol (CID 135038163) is 2-amino-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol is [CH2+]C(N)(CO)CO.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol?
The InChIKey is UUHKJHDBDKXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2/c1-4(5,2-6)3-7/h6-7H,1-3,5H2/q+1.
What are the key properties of 2-amino-2-methylpropane-1,3-diol?
2-amino-2-methylpropane-1,3-diol has a molecular weight of 104.13 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol is sourced from PubChem (CID 135038163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).