About (2S)-2-(1-aminoethoxy)propan-1-ol
(2S)-2-(1-aminoethoxy)propan-1-ol (PubChem CID 142604157) has the molecular formula C5H13NO2
and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S)-2-(1-aminoethoxy)propan-1-ol.
Molecular Properties
| Compound Name | (2S)-2-(1-aminoethoxy)propan-1-ol |
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| PubChem CID | 142604157 |
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| Molecular Formula | C5H13NO2 |
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| Molecular Weight | 119.16 g/mol |
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| Exact Mass | 119.09 |
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| IUPAC Name | (2S)-2-(1-aminoethoxy)propan-1-ol |
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| SMILES | CC(N)O[C@@H](C)CO |
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| InChI | InChI=1S/C5H13NO2/c1-4(3-7)8-5(2)6/h4-5,7H,3,6H2,1-2H3/t4-,5?/m0/s1 |
|---|
| InChIKey | FLZQWYAXRFJAIE-ROLXFIACSA-N |
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| XLogP | -0.31 |
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| TPSA | 55.48 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 | 119.16 |
| LogP ≤ 5 | -0.31 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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 (2S)-2-(1-aminoethoxy)propan-1-ol?
The IUPAC name of (2S)-2-(1-aminoethoxy)propan-1-ol (CID 142604157) is (2S)-2-(1-aminoethoxy)propan-1-ol.
What is the SMILES notation for (2S)-2-(1-aminoethoxy)propan-1-ol?
The canonical SMILES for (2S)-2-(1-aminoethoxy)propan-1-ol is CC(N)O[C@@H](C)CO.
What is the InChIKey of (2S)-2-(1-aminoethoxy)propan-1-ol?
The InChIKey is FLZQWYAXRFJAIE-ROLXFIACSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(3-7)8-5(2)6/h4-5,7H,3,6H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (2S)-2-(1-aminoethoxy)propan-1-ol?
(2S)-2-(1-aminoethoxy)propan-1-ol has a molecular weight of 119.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-aminoethoxy)propan-1-ol is sourced from PubChem (CID 142604157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).