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

C11H19NO5 — CID 10037503

IUPAC(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
SMILESCC1(C)O[C@@H]([C@@H](O)[C@H]2CCC(=O)N2)[C@H](CO)O1
InChIInChI=1S/C11H19NO5/c1-11(2)16-7(5-13)10(17-11)9(15)6-3-4-8(14)12-6/h6-7,9-10,13,15H,3-5H2,1-2H3,(H,12,14)/t6-,7+,9+,10-/m1/s1
InChIKeyYCLUXCKYZPLMQL-GOZTYBTRSA-N
MW245.27 g/mol
LogP-0.86
Rot. Bonds3

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

(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one (PubChem CID 10037503) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
PubChem CID10037503
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
SMILESCC1(C)O[C@@H]([C@@H](O)[C@H]2CCC(=O)N2)[C@H](CO)O1
InChIInChI=1S/C11H19NO5/c1-11(2)16-7(5-13)10(17-11)9(15)6-3-4-8(14)12-6/h6-7,9-10,13,15H,3-5H2,1-2H3,(H,12,14)/t6-,7+,9+,10-/m1/s1
InChIKeyYCLUXCKYZPLMQL-GOZTYBTRSA-N
XLogP-0.86
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573702
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
N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573679
N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573691
N-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573698
N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573707
N-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]pentanamide
CID 122573712
5-(5-Hydroxyoxolan-2-yl)pyrrolidin-2-one
CID 123280021

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one (CID 10037503) is (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one is CC1(C)O[C@@H]([C@@H](O)[C@H]2CCC(=O)N2)[C@H](CO)O1.
What is the InChIKey of (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is YCLUXCKYZPLMQL-GOZTYBTRSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2)16-7(5-13)10(17-11)9(15)6-3-4-8(14)12-6/h6-7,9-10,13,15H,3-5H2,1-2H3,(H,12,14)/t6-,7+,9+,10-/m1/s1.
What are the key properties of (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one?
(5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 245.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 10037503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).