benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate

C34H51NO6Si2 — CID 146164267

IUPACbenzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C34H51NO6Si2/c1-12-27-29(40-31(36)26-21-17-14-18-22-26)30(41-43(10,11)34(5,6)7)28(24-39-42(8,9)33(2,3)4)35(27)32(37)38-23-25-19-15-13-16-20-25/h12-22,27-30H,1,23-24H2,2-11H3/t27-,28-,29-,30-/m1/s1
InChIKeyCTXYOTKQRJNTJT-SKKKGAJSSA-N
MW625.96 g/mol
LogP8.20
Rot. Bonds10

About benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate

benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate (PubChem CID 146164267) has the molecular formula C34H51NO6Si2 and a molecular weight of 625.96 g/mol. Its IUPAC name is benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate
PubChem CID146164267
Molecular FormulaC34H51NO6Si2
Molecular Weight625.96 g/mol
Exact Mass625.33
IUPAC Namebenzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C34H51NO6Si2/c1-12-27-29(40-31(36)26-21-17-14-18-22-26)30(41-43(10,11)34(5,6)7)28(24-39-42(8,9)33(2,3)4)35(27)32(37)38-23-25-19-15-13-16-20-25/h12-22,27-30H,1,23-24H2,2-11H3/t27-,28-,29-,30-/m1/s1
InChIKeyCTXYOTKQRJNTJT-SKKKGAJSSA-N
XLogP8.20
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.96
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3R,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 11330957
tert-butyl (2S,3R,4R)-4-benzoyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 11397598
tert-butyl (2S,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethylidene)pyrrolidine-1-carboxylate
CID 11467584
(2R,3R,4S)-3-Benzoyloxy-N-benzyloxycarbonyl-4-benzyloxy-2-fluoromethyl-pyrrolidine
CID 67157467
(2S,3S,4S)-3-(tert-Butyl-dimethyl-silanyloxy)-4-fluoro-pyrrolidine-1,2-dicarboxylic acid dibenzyl ester
CID 68283592
Dibenzyl 3-[tert-butyl(dimethyl)silyl]oxy-4-fluoropyrrolidine-1,2-dicarboxylate
CID 77462489
tert-butyl (2R,3S,4R)-4-{[3,5-bis(trifluoromethyl)benzoyl]oxy}-2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 86627376
benzoyl (2R,4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 87290391
4-[3,5-Bis(trifluoromethyl)benzoyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylpyrrolidine-1-carboxylic acid
CID 87692297
[(2R,3R,4R,5R)-5-(acetamidomethyl)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoropyrrolidin-2-yl]methyl benzoate
CID 90059592
Benzoyl 4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 140523283
dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 142503988

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate (CID 146164267) is benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate is C=C[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate?
The InChIKey is CTXYOTKQRJNTJT-SKKKGAJSSA-N. The full InChI is InChI=1S/C34H51NO6Si2/c1-12-27-29(40-31(36)26-21-17-14-18-22-26)30(41-43(10,11)34(5,6)7)28(24-39-42(8,9)33(2,3)4)35(27)32(37)38-23-25-19-15-13-16-20-25/h12-22,27-30H,1,23-24H2,2-11H3/t27-,28-,29-,30-/m1/s1.
What are the key properties of benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate?
benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate has a molecular weight of 625.96 g/mol, XLogP of 8.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R,4R,5R)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 146164267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).