tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate

C17H35NO4Si — CID 57238151

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCO
InChIInChI=1S/C17H35NO4Si/c1-16(2,3)21-15(20)18-12-14(11-13(18)9-10-19)22-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m0/s1
InChIKeyWVTXQUXVNDJIMR-UONOGXRCSA-N
MW345.56 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 57238151) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID57238151
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCO
InChIInChI=1S/C17H35NO4Si/c1-16(2,3)21-15(20)18-12-14(11-13(18)9-10-19)22-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m0/s1
InChIKeyWVTXQUXVNDJIMR-UONOGXRCSA-N
XLogP3.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate (CID 57238151) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCO.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is WVTXQUXVNDJIMR-UONOGXRCSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-16(2,3)21-15(20)18-12-14(11-13(18)9-10-19)22-23(7,8)17(4,5)6/h13-14,19H,9-12H2,1-8H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 345.56 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57238151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).