tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate

C31H39NO4Si — CID 71066618

IUPACtert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)CC(O)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H39NO4Si/c1-30(2,3)35-29(34)32-26(23-16-10-7-11-17-23)22-27(33)28(32)36-37(31(4,5)6,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-28,33H,22H2,1-6H3
InChIKeyUQZFFTDKVTVSBS-UHFFFAOYSA-N
MW517.74 g/mol
LogP5.63
Rot. Bonds5

About tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate

tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate (PubChem CID 71066618) has the molecular formula C31H39NO4Si and a molecular weight of 517.74 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate
PubChem CID71066618
Molecular FormulaC31H39NO4Si
Molecular Weight517.74 g/mol
Exact Mass517.26
IUPAC Nametert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(c2ccccc2)CC(O)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H39NO4Si/c1-30(2,3)35-29(34)32-26(23-16-10-7-11-17-23)22-27(33)28(32)36-37(31(4,5)6,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-28,33H,22H2,1-6H3
InChIKeyUQZFFTDKVTVSBS-UHFFFAOYSA-N
XLogP5.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.74
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate 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 tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate (CID 71066618) is tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(c2ccccc2)CC(O)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate?
The InChIKey is UQZFFTDKVTVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO4Si/c1-30(2,3)35-29(34)32-26(23-16-10-7-11-17-23)22-27(33)28(32)36-37(31(4,5)6,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-28,33H,22H2,1-6H3.
What are the key properties of tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate?
tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate has a molecular weight of 517.74 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 71066618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).