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

C11H17NO5 — CID 10490406

IUPAC(5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one
SMILESCC1(C)O[C@H]2O[C@H]([C@@H]3CCC(=O)N3)[C@H](O)[C@H]2O1
InChIInChI=1S/C11H17NO5/c1-11(2)16-9-7(14)8(15-10(9)17-11)5-3-4-6(13)12-5/h5,7-10,14H,3-4H2,1-2H3,(H,12,13)/t5-,7-,8+,9+,10+/m0/s1
InChIKeyADSCNWVGOCUGBI-LSFGRMBMSA-N
MW243.26 g/mol
LogP-0.50
Rot. Bonds1

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

(5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one (PubChem CID 10490406) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one
PubChem CID10490406
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one
SMILESCC1(C)O[C@H]2O[C@H]([C@@H]3CCC(=O)N3)[C@H](O)[C@H]2O1
InChIInChI=1S/C11H17NO5/c1-11(2)16-9-7(14)8(15-10(9)17-11)5-3-4-6(13)12-5/h5,7-10,14H,3-4H2,1-2H3,(H,12,13)/t5-,7-,8+,9+,10+/m0/s1
InChIKeyADSCNWVGOCUGBI-LSFGRMBMSA-N
XLogP-0.50
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(3aR,4R,8aR,8bS)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
CID 11436096
4-Hydroxy-5-(tetrahydro-6-hydroxy-2,2-dimethylfuro[2,3-d]-1,3-dioxol-5-yl)-2-pyrrolidinone
CID 14729338
(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
(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
dodecyl 4-[[(1S)-1-[(3aS,4S,6R,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]amino]-4-oxobutanoate
CID 69727401
5-(5-Hydroxyoxolan-2-yl)pyrrolidin-2-one
CID 123280021
(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10037503
[(4S,5S)-5-[(S)-hydroxy-[(2R)-5-oxopyrrolidin-2-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 10426343
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2R)-pyrrolidin-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10561389
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2S)-pyrrolidin-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10657025
(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-hydroxy(214C)azolidin-2-one
CID 10682815
(5R)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one
CID 10847802

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3aR,5R,6S,6aR)-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 (5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one (CID 10490406) is (5S)-5-[(3aR,5R,6S,6aR)-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 (5S)-5-[(3aR,5R,6S,6aR)-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 (5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one is CC1(C)O[C@H]2O[C@H]([C@@H]3CCC(=O)N3)[C@H](O)[C@H]2O1.
What is the InChIKey of (5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one?
The InChIKey is ADSCNWVGOCUGBI-LSFGRMBMSA-N. The full InChI is InChI=1S/C11H17NO5/c1-11(2)16-9-7(14)8(15-10(9)17-11)5-3-4-6(13)12-5/h5,7-10,14H,3-4H2,1-2H3,(H,12,13)/t5-,7-,8+,9+,10+/m0/s1.
What are the key properties of (5S)-5-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pyrrolidin-2-one?
(5S)-5-[(3aR,5R,6S,6aR)-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 243.26 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3aR,5R,6S,6aR)-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 10490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).