(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one

C26H27NO4 — CID 164682624

IUPAC(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H27NO4/c28-26-25(31-18-22-14-8-3-9-15-22)24(30-17-21-12-6-2-7-13-21)23(27-26)19-29-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,27,28)/t23-,24-,25+/m0/s1
InChIKeyQLYIRCPWSGOZMA-CCDWMCETSA-N
MW417.50 g/mol
LogP3.87
Rot. Bonds10

About (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one

(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one (PubChem CID 164682624) has the molecular formula C26H27NO4 and a molecular weight of 417.50 g/mol. Its IUPAC name is (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
PubChem CID164682624
Molecular FormulaC26H27NO4
Molecular Weight417.50 g/mol
Exact Mass417.19
IUPAC Name(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H27NO4/c28-26-25(31-18-22-14-8-3-9-15-22)24(30-17-21-12-6-2-7-13-21)23(27-26)19-29-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,27,28)/t23-,24-,25+/m0/s1
InChIKeyQLYIRCPWSGOZMA-CCDWMCETSA-N
XLogP3.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one 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

(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
(2R,3R,4R,5R)-2,5-dibenzyloxy-3,4-dihydroxy-N-[(3S,5S)-5-(hydroxymethyl)tetrahydrofuran-3-yl]-N'-[(5S)-5-(hydroxymethyl)tetrahydrofuran-3-yl]hexanediamide
CID 503798
1,3-Dioxolane-4,5-dicarboxamide, N,N'-dicyclohexyl-2-phenyl-
CID 597836
(2R,3R,4R)-3,4-dibenzyloxy-2-benzyloxymethylpyrrolidine
CID 22842874
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 91399124
2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-D-glucono-1,5-lactone
CID 11812952
(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
CID 14503836
N-[(1S,5S,6R)-4-oxo-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]acetamide
CID 23628591
tert-butyl (3S,4R,5R)-2-oxo-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 46209609
(2S,3S,4S,5S)-2-ethenyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 53382142
N-[2-formyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72768617
N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 119077344

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one?
The IUPAC name of (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one (CID 164682624) is (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one is O=C1N[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one?
The InChIKey is QLYIRCPWSGOZMA-CCDWMCETSA-N. The full InChI is InChI=1S/C26H27NO4/c28-26-25(31-18-22-14-8-3-9-15-22)24(30-17-21-12-6-2-7-13-21)23(27-26)19-29-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2,(H,27,28)/t23-,24-,25+/m0/s1.
What are the key properties of (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one?
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one has a molecular weight of 417.50 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 164682624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).