4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one

C11H17NO6 — CID 14729338

IUPAC4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one
SMILESCC1(C)OC2OC(C3NC(=O)CC3O)C(O)C2O1
InChIInChI=1S/C11H17NO6/c1-11(2)17-9-7(15)8(16-10(9)18-11)6-4(13)3-5(14)12-6/h4,6-10,13,15H,3H2,1-2H3,(H,12,14)
InChIKeyBZUCFQNHWQJVQY-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.53
Rot. Bonds1

About 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one

4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one (PubChem CID 14729338) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one
PubChem CID14729338
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one
SMILESCC1(C)OC2OC(C3NC(=O)CC3O)C(O)C2O1
InChIInChI=1S/C11H17NO6/c1-11(2)17-9-7(15)8(16-10(9)18-11)6-4(13)3-5(14)12-6/h4,6-10,13,15H,3H2,1-2H3,(H,12,14)
InChIKeyBZUCFQNHWQJVQY-UHFFFAOYSA-N
XLogP-1.53
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,3aR,5R,6R,6aR)-6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
CID 100661353
2-[(2S,3aR,5R,6R,6aR)-5-[(dimethylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
CID 100661851
2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
CID 100661951
2-[(2S,3aR,5R,6R,6aR)-6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(2-methoxyethyl)acetamide
CID 100662814
2-[(2S,3aR,5R,6R,6aR)-5-[(cyclopentylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(2-methoxyethyl)acetamide
CID 100663039
N-[(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573702
ethyl (3S,4R)-4-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14729335
[1-[[(3aR,5S,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate
CID 56616696
(4S,5S)-5-[(3aR,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-hydroxypyrrolidin-2-one
CID 57150134
(3S,4R)-4-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 67755996
(4S,5R)-5-[(3aR,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-hydroxypyrrolidin-2-one
CID 67756926
N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573679

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one (CID 14729338) is 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one is CC1(C)OC2OC(C3NC(=O)CC3O)C(O)C2O1.
What is the InChIKey of 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one?
The InChIKey is BZUCFQNHWQJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c1-11(2)17-9-7(15)8(16-10(9)18-11)6-4(13)3-5(14)12-6/h4,6-10,13,15H,3H2,1-2H3,(H,12,14).
What are the key properties of 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one?
4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one has a molecular weight of 259.26 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 14729338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).