(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one

C21H37NO3Si2 — CID 10597548

IUPAC(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
SMILESC[C@@H](O)[C@@H]1C(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H37NO3Si2/c1-15(23)18-19(26(5,6)16-12-10-9-11-13-16)17(22-20(18)24)14-25-27(7,8)21(2,3)4/h9-13,15,17-19,23H,14H2,1-8H3,(H,22,24)/t15-,17-,18+,19-/m1/s1
InChIKeySFOGWLTZUVEUDP-OQIJWPOYSA-N
MW407.70 g/mol
LogP3.49
Rot. Bonds6

About (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one

(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one (PubChem CID 10597548) has the molecular formula C21H37NO3Si2 and a molecular weight of 407.70 g/mol. Its IUPAC name is (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
PubChem CID10597548
Molecular FormulaC21H37NO3Si2
Molecular Weight407.70 g/mol
Exact Mass407.23
IUPAC Name(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
SMILESC[C@@H](O)[C@@H]1C(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H37NO3Si2/c1-15(23)18-19(26(5,6)16-12-10-9-11-13-16)17(22-20(18)24)14-25-27(7,8)21(2,3)4/h9-13,15,17-19,23H,14H2,1-8H3,(H,22,24)/t15-,17-,18+,19-/m1/s1
InChIKeySFOGWLTZUVEUDP-OQIJWPOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]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

(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10495893
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10851289
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
1-Benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(1-hydroxyethyl)pyrrolidin-2-one
CID 19900152
(2S,4R)-2-[2-(N-Benzyl-N-methylcarbamoyl)-1-hydroxyethyl]-4-tert-butyldimethylsiloxypyrrolidine
CID 57145839
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 57535677
(5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)pyrrolidin-2-one
CID 68018634
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]pyrrolidin-2-one
CID 10502940
tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(E,1R)-1-hydroxybut-2-enyl]-5-oxopyrrolidine-1-carboxylate
CID 10506462
tert-butyl (2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[dimethyl(phenyl)silyl]-4-[(1R)-1-hydroxyethyl]-5-oxopyrrolidine-1-carboxylate
CID 10839353
(3R,5S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-phenylbutyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 50916572

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
The IUPAC name of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one (CID 10597548) is (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
The canonical SMILES for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one is C[C@@H](O)[C@@H]1C(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
The InChIKey is SFOGWLTZUVEUDP-OQIJWPOYSA-N. The full InChI is InChI=1S/C21H37NO3Si2/c1-15(23)18-19(26(5,6)16-12-10-9-11-13-16)17(22-20(18)24)14-25-27(7,8)21(2,3)4/h9-13,15,17-19,23H,14H2,1-8H3,(H,22,24)/t15-,17-,18+,19-/m1/s1.
What are the key properties of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 407.70 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 10597548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).