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

C17H33NO4Si — CID 10807344

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CC=O
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)21-15(20)18-12-14(11-13(18)9-10-19)22-23(7,8)17(4,5)6/h10,13-14H,9,11-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyWKUIAYWLQMODME-ZIAGYGMSSA-N
MW343.54 g/mol
LogP3.98
Rot. Bonds4

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

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 10807344) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID10807344
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CC=O
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)21-15(20)18-12-14(11-13(18)9-10-19)22-23(7,8)17(4,5)6/h10,13-14H,9,11-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyWKUIAYWLQMODME-ZIAGYGMSSA-N
XLogP3.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate (CID 10807344) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CC=O.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is WKUIAYWLQMODME-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-16(2,3)21-15(20)18-12-14(11-13(18)9-10-19)22-23(7,8)17(4,5)6/h10,13-14H,9,11-12H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 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-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10807344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).