tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate

C28H41NO3Si — CID 90377051

IUPACtert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C28H41NO3Si/c1-21-19-23(29(22(21)2)26(30)32-27(3,4)5)20-31-33(28(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,21-23H,19-20H2,1-8H3/t21-,22-,23+/m1/s1
InChIKeyQSQUDLOUUPYHLC-ZLNRFVROSA-N
MW467.73 g/mol
LogP5.60
Rot. Bonds5

About tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate

tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 90377051) has the molecular formula C28H41NO3Si and a molecular weight of 467.73 g/mol. Its IUPAC name is tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate
PubChem CID90377051
Molecular FormulaC28H41NO3Si
Molecular Weight467.73 g/mol
Exact Mass467.29
IUPAC Nametert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C28H41NO3Si/c1-21-19-23(29(22(21)2)26(30)32-27(3,4)5)20-31-33(28(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,21-23H,19-20H2,1-8H3/t21-,22-,23+/m1/s1
InChIKeyQSQUDLOUUPYHLC-ZLNRFVROSA-N
XLogP5.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.73
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate (CID 90377051) is tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate is C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is QSQUDLOUUPYHLC-ZLNRFVROSA-N. The full InChI is InChI=1S/C28H41NO3Si/c1-21-19-23(29(22(21)2)26(30)32-27(3,4)5)20-31-33(28(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,21-23H,19-20H2,1-8H3/t21-,22-,23+/m1/s1.
What are the key properties of tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate?
tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 467.73 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90377051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).