(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol

C13H23NO5 — CID 10516386

IUPAC(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CN3CCOCC3)C[C@H]2O1
InChIInChI=1S/C13H23NO5/c1-13(2)18-11-7-10(17-12(11)19-13)9(15)8-14-3-5-16-6-4-14/h9-12,15H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKeyKQAYTOJMUXNQPI-WRWGMCAJSA-N
MW273.33 g/mol
LogP-0.05
Rot. Bonds3

About (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol

(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol (PubChem CID 10516386) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol
PubChem CID10516386
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CN3CCOCC3)C[C@H]2O1
InChIInChI=1S/C13H23NO5/c1-13(2)18-11-7-10(17-12(11)19-13)9(15)8-14-3-5-16-6-4-14/h9-12,15H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKeyKQAYTOJMUXNQPI-WRWGMCAJSA-N
XLogP-0.05
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
The IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol (CID 10516386) is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol.
What is the SMILES notation for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
The canonical SMILES for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol is CC1(C)O[C@H]2O[C@H]([C@H](O)CN3CCOCC3)C[C@H]2O1.
What is the InChIKey of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
The InChIKey is KQAYTOJMUXNQPI-WRWGMCAJSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2)18-11-7-10(17-12(11)19-13)9(15)8-14-3-5-16-6-4-14/h9-12,15H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol has a molecular weight of 273.33 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 10516386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).