tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate

C27H37NO4Si — CID 11465570

IUPACtert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
SMILES[2H]C([2H])([2H])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-20-18-24(29)28(25(30)32-26(2,3)4)23(20)19-31-33(27(5,6)7,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23H,18-19H2,1-7H3/t20-,23+/m0/s1/i1D3
InChIKeyIITAXNDPSWSHHN-FIDASBLISA-N
MW470.70 g/mol
LogP4.74
Rot. Bonds6

About tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate (PubChem CID 11465570) has the molecular formula C27H37NO4Si and a molecular weight of 470.70 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
PubChem CID11465570
Molecular FormulaC27H37NO4Si
Molecular Weight470.70 g/mol
Exact Mass470.27
IUPAC Nametert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
SMILES[2H]C([2H])([2H])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H37NO4Si/c1-20-18-24(29)28(25(30)32-26(2,3)4)23(20)19-31-33(27(5,6)7,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23H,18-19H2,1-7H3/t20-,23+/m0/s1/i1D3
InChIKeyIITAXNDPSWSHHN-FIDASBLISA-N
XLogP4.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.70
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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Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(fluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111284
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxylate
CID 176319699
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1,1-dibromo-2,2,2-trifluoroethyl)-5-oxopyrrolidine-1-carboxylate
CID 176319767
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-methoxypyrrolidine
CID 10885179
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
tert-butyl (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-4-prop-2-enylpiperidine-1-carboxylate
CID 11179706
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111281

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate (CID 11465570) is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate is [2H]C([2H])([2H])[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate?
The InChIKey is IITAXNDPSWSHHN-FIDASBLISA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-20-18-24(29)28(25(30)32-26(2,3)4)23(20)19-31-33(27(5,6)7,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,20,23H,18-19H2,1-7H3/t20-,23+/m0/s1/i1D3.
What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate has a molecular weight of 470.70 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11465570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).