About (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 7201085) has the molecular formula C8H18N2O2
and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol.
Molecular Properties
| Compound Name | (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol |
| PubChem CID | 7201085 |
| Molecular Formula | C8H18N2O2 |
| Molecular Weight | 174.24 g/mol |
| Exact Mass | 174.14 |
| IUPAC Name | (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol |
| SMILES | CNC[C@H](O)CN1CCOCC1 |
| InChI | InChI=1S/C8H18N2O2/c1-9-6-8(11)7-10-2-4-12-5-3-10/h8-9,11H,2-7H2,1H3/t8-/m0/s1 |
| InChIKey | RMDISURRHDBKQZ-QMMMGPOBSA-N |
| XLogP | -1.10 |
| TPSA | 44.73 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 174.24 |
| LogP ≤ 5 | -1.10 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol (CID 7201085) is (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol is CNC[C@H](O)CN1CCOCC1.
What is the InChIKey of (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is RMDISURRHDBKQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-9-6-8(11)7-10-2-4-12-5-3-10/h8-9,11H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol?
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 174.24 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 7201085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).