(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one

C25H36N2O2Si — CID 140823774

IUPAC(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C25H36N2O2Si/c1-25(2,3)30(4,5)29-19-22-16-23(24(28)26-22)27(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h6-15,22-23H,16-19H2,1-5H3,(H,26,28)/t22-,23+/m0/s1
InChIKeyXZEYYURPJTYZKG-XZOQPEGZSA-N
MW424.66 g/mol
LogP4.97
Rot. Bonds8

About (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one

(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one (PubChem CID 140823774) has the molecular formula C25H36N2O2Si and a molecular weight of 424.66 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one
PubChem CID140823774
Molecular FormulaC25H36N2O2Si
Molecular Weight424.66 g/mol
Exact Mass424.25
IUPAC Name(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1
InChIInChI=1S/C25H36N2O2Si/c1-25(2,3)30(4,5)29-19-22-16-23(24(28)26-22)27(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h6-15,22-23H,16-19H2,1-5H3,(H,26,28)/t22-,23+/m0/s1
InChIKeyXZEYYURPJTYZKG-XZOQPEGZSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)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

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one (CID 140823774) is (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one?
The InChIKey is XZEYYURPJTYZKG-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H36N2O2Si/c1-25(2,3)30(4,5)29-19-22-16-23(24(28)26-22)27(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h6-15,22-23H,16-19H2,1-5H3,(H,26,28)/t22-,23+/m0/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one?
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one has a molecular weight of 424.66 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(dibenzylamino)pyrrolidin-2-one is sourced from PubChem (CID 140823774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).