tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate

C27H37NO4Si — CID 57437936

IUPACtert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C27H37NO4Si/c1-20-18-21(28(24(20)29)25(30)32-26(2,3)4)19-31-33(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20-,21+/m1/s1
InChIKeyMXBFNJKYUKASEK-RTWAWAEBSA-N
MW467.68 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate

tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate (PubChem CID 57437936) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
PubChem CID57437936
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Nametert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C27H37NO4Si/c1-20-18-21(28(24(20)29)25(30)32-26(2,3)4)19-31-33(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20-,21+/m1/s1
InChIKeyMXBFNJKYUKASEK-RTWAWAEBSA-N
XLogP4.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.74
H-Bond Donors ≤ 50
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 (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate (CID 57437936) is tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate is C[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate?
The InChIKey is MXBFNJKYUKASEK-RTWAWAEBSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-20-18-21(28(24(20)29)25(30)32-26(2,3)4)19-31-33(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,20-21H,18-19H2,1-7H3/t20-,21+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate has a molecular weight of 467.68 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 57437936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).