3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol

C11H21NO3 — CID 106100705

IUPAC3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c13-10-4-2-1-3-9(10)12-7-11(14)5-6-15-8-11/h9-10,12-14H,1-8H2/t9-,10-,11?/m1/s1
InChIKeyACYYREWTRBGQCU-DIOIDXFWSA-N
MW215.29 g/mol
LogP0.03
Rot. Bonds3

About 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol

3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol (PubChem CID 106100705) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
PubChem CID106100705
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c13-10-4-2-1-3-9(10)12-7-11(14)5-6-15-8-11/h9-10,12-14H,1-8H2/t9-,10-,11?/m1/s1
InChIKeyACYYREWTRBGQCU-DIOIDXFWSA-N
XLogP0.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol (CID 106100705) is 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol is O[C@@H]1CCCC[C@H]1NCC1(O)CCOC1.
What is the InChIKey of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
The InChIKey is ACYYREWTRBGQCU-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H21NO3/c13-10-4-2-1-3-9(10)12-7-11(14)5-6-15-8-11/h9-10,12-14H,1-8H2/t9-,10-,11?/m1/s1.
What are the key properties of 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol?
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol has a molecular weight of 215.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).