(3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

C13H23NO5 — CID 56637692

IUPAC(3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CN3CCCC3)O[C@H](O)[C@H]2O1
InChIInChI=1S/C13H23NO5/c1-13(2)18-10-9(17-12(16)11(10)19-13)8(15)7-14-5-3-4-6-14/h8-12,15-16H,3-7H2,1-2H3/t8-,9-,10+,11+,12+/m1/s1
InChIKeyDPVLTPXTZSENEP-GCHJQGSQSA-N
MW273.33 g/mol
LogP-0.32
Rot. Bonds3

About (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

(3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (PubChem CID 56637692) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
PubChem CID56637692
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
SMILESCC1(C)O[C@H]2[C@@H]([C@H](O)CN3CCCC3)O[C@H](O)[C@H]2O1
InChIInChI=1S/C13H23NO5/c1-13(2)18-10-9(17-12(16)11(10)19-13)8(15)7-14-5-3-4-6-14/h8-12,15-16H,3-7H2,1-2H3/t8-,9-,10+,11+,12+/m1/s1
InChIKeyDPVLTPXTZSENEP-GCHJQGSQSA-N
XLogP-0.32
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

[(3aR,6R,6aR)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-trimethylazanium bromide
CID 45109728
2-[Ethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol
CID 412309
(3aR,5R,6S,6aR)-5-[(Dimethylamino)methyl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CID 10242463
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(morpholin-4-yl)methyl]-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CID 10978164
(3aR,5R)-5-[(dimethylamino)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 134857814
5-[2-(Aziridin-1-yl)-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 413655
(3,5-Dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-trimethylazanium
CID 4572524
(3,5-Dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-trimethylazanium chloride
CID 14078679
(1R)-1-[(3aS,4S,6R,6aS)-2,2-dimethyl-4-(3-nonoxypropoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-pyrrolidin-1-ylethanol
CID 15235620
(1S)-1-[(3aS,4R,6aR)-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol
CID 18643925
(1S)-1-[(3aS,4R,6aR)-5-butyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethane-1,2-diol
CID 18643927
(1R)-1-[(3aS,4S,6R,6aS)-2,2-dimethyl-4-undecoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-pyrrolidin-1-ylethanol
CID 18655980

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The IUPAC name of (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol (CID 56637692) is (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol.
What is the SMILES notation for (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The canonical SMILES for (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is CC1(C)O[C@H]2[C@@H]([C@H](O)CN3CCCC3)O[C@H](O)[C@H]2O1.
What is the InChIKey of (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
The InChIKey is DPVLTPXTZSENEP-GCHJQGSQSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2)18-10-9(17-12(16)11(10)19-13)8(15)7-14-5-3-4-6-14/h8-12,15-16H,3-7H2,1-2H3/t8-,9-,10+,11+,12+/m1/s1.
What are the key properties of (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol?
(3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol has a molecular weight of 273.33 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6R,6aS)-6-[(1R)-1-hydroxy-2-pyrrolidin-1-ylethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol is sourced from PubChem (CID 56637692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).