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

C12H21NO5 — CID 10978164

IUPAC(3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H](CN3CCOCC3)[C@H](O)[C@H]2O1
InChIInChI=1S/C12H21NO5/c1-12(2)17-10-9(14)8(16-11(10)18-12)7-13-3-5-15-6-4-13/h8-11,14H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1
InChIKeyHILJIAJPYYQBKT-LMLFDSFASA-N
MW259.30 g/mol
LogP-0.44
Rot. Bonds2

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

(3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 10978164) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID10978164
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H](CN3CCOCC3)[C@H](O)[C@H]2O1
InChIInChI=1S/C12H21NO5/c1-12(2)17-10-9(14)8(16-11(10)18-12)7-13-3-5-15-6-4-13/h8-11,14H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1
InChIKeyHILJIAJPYYQBKT-LMLFDSFASA-N
XLogP-0.44
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol 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 (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 10978164) is (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CC1(C)O[C@H]2O[C@H](CN3CCOCC3)[C@H](O)[C@H]2O1.
What is the InChIKey of (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is HILJIAJPYYQBKT-LMLFDSFASA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2)17-10-9(14)8(16-11(10)18-12)7-13-3-5-15-6-4-13/h8-11,14H,3-7H2,1-2H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 259.30 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 10978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).