tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate

C24H33NO2Si — CID 101207425

IUPACtert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1[Si](C)(C)C
InChIInChI=1S/C24H33NO2Si/c1-24(2,3)27-23(26)25-17-20(18-13-9-7-10-14-18)21(22(25)28(4,5)6)19-15-11-8-12-16-19/h7-16,20-22H,17H2,1-6H3/t20-,21-,22+/m0/s1
InChIKeyHMOKIBHKLAZVHO-FDFHNCONSA-N
MW395.62 g/mol
LogP6.05
Rot. Bonds3

About tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate

tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate (PubChem CID 101207425) has the molecular formula C24H33NO2Si and a molecular weight of 395.62 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate
PubChem CID101207425
Molecular FormulaC24H33NO2Si
Molecular Weight395.62 g/mol
Exact Mass395.23
IUPAC Nametert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1[Si](C)(C)C
InChIInChI=1S/C24H33NO2Si/c1-24(2,3)27-23(26)25-17-20(18-13-9-7-10-14-18)21(22(25)28(4,5)6)19-15-11-8-12-16-19/h7-16,20-22H,17H2,1-6H3/t20-,21-,22+/m0/s1
InChIKeyHMOKIBHKLAZVHO-FDFHNCONSA-N
XLogP6.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate (CID 101207425) is tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1[Si](C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate?
The InChIKey is HMOKIBHKLAZVHO-FDFHNCONSA-N. The full InChI is InChI=1S/C24H33NO2Si/c1-24(2,3)27-23(26)25-17-20(18-13-9-7-10-14-18)21(22(25)28(4,5)6)19-15-11-8-12-16-19/h7-16,20-22H,17H2,1-6H3/t20-,21-,22+/m0/s1.
What are the key properties of tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate has a molecular weight of 395.62 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate is sourced from PubChem (CID 101207425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).