(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one

C15H27NO5 — CID 11722400

IUPAC(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)OC[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H27NO5/c1-14(2,3)19-8-10-13(21-15(4,5)20-10)12(18)9-6-7-11(17)16-9/h9-10,12-13,18H,6-8H2,1-5H3,(H,16,17)/t9-,10+,12+,13-/m1/s1
InChIKeyFINGWUMIFWXHAX-RSLMWUCJSA-N
MW301.38 g/mol
LogP0.96
Rot. Bonds4

About (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one

(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one (PubChem CID 11722400) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one
PubChem CID11722400
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one
SMILESCC(C)(C)OC[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)[C@H]1CCC(=O)N1
InChIInChI=1S/C15H27NO5/c1-14(2,3)19-8-10-13(21-15(4,5)20-10)12(18)9-6-7-11(17)16-9/h9-10,12-13,18H,6-8H2,1-5H3,(H,16,17)/t9-,10+,12+,13-/m1/s1
InChIKeyFINGWUMIFWXHAX-RSLMWUCJSA-N
XLogP0.96
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one with MolForge

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Related Compounds

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
(5S)-5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one
CID 67408163
5-[(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrrolidin-2-one
CID 67408166
(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
(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
(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
(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
tert-butyl (2S)-2-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 10829131
(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
tert-butyl (2R)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 11725110

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one (CID 11722400) is (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one is CC(C)(C)OC[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one?
The InChIKey is FINGWUMIFWXHAX-RSLMWUCJSA-N. The full InChI is InChI=1S/C15H27NO5/c1-14(2,3)19-8-10-13(21-15(4,5)20-10)12(18)9-6-7-11(17)16-9/h9-10,12-13,18H,6-8H2,1-5H3,(H,16,17)/t9-,10+,12+,13-/m1/s1.
What are the key properties of (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one?
(5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one has a molecular weight of 301.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(S)-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-4-yl]-hydroxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 11722400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).