tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate

C27H39NO4Si — CID 70649507

IUPACtert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate
SMILESCC(C[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C)C(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39NO4Si/c1-20(19-23-24(29)17-18-28(23)25(30)32-26(2,3)4)27(5,6)33(31,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24,29,31H,17-19H2,1-6H3/t20?,23-,24+/m1/s1
InChIKeyJVLLTAMQZFGEBL-LZCZEWEUSA-N
MW469.70 g/mol
LogP3.92
Rot. Bonds6

About tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate

tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate (PubChem CID 70649507) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate
PubChem CID70649507
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate
SMILESCC(C[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C)C(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39NO4Si/c1-20(19-23-24(29)17-18-28(23)25(30)32-26(2,3)4)27(5,6)33(31,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24,29,31H,17-19H2,1-6H3/t20?,23-,24+/m1/s1
InChIKeyJVLLTAMQZFGEBL-LZCZEWEUSA-N
XLogP3.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-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 (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate (CID 70649507) is tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate is CC(C[C@@H]1[C@@H](O)CCN1C(=O)OC(C)(C)C)C(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate?
The InChIKey is JVLLTAMQZFGEBL-LZCZEWEUSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-20(19-23-24(29)17-18-28(23)25(30)32-26(2,3)4)27(5,6)33(31,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24,29,31H,17-19H2,1-6H3/t20?,23-,24+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate has a molecular weight of 469.70 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-hydroxy-2-[3-[hydroxy(diphenyl)silyl]-2,3-dimethylbutyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 70649507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).