tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate

C33H39NO6Si — CID 11376588

IUPACtert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H39NO6Si/c1-32(2,3)40-31(37)34-22-28(39-30(36)24-16-10-7-11-17-24)29(35)27(34)23-38-41(33(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-28H,22-23H2,1-6H3/t27-,28+/m1/s1
InChIKeyARPKEJLVPQKLLM-IZLXSDGUSA-N
MW573.76 g/mol
LogP4.98
Rot. Bonds7

About tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate (PubChem CID 11376588) has the molecular formula C33H39NO6Si and a molecular weight of 573.76 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate
PubChem CID11376588
Molecular FormulaC33H39NO6Si
Molecular Weight573.76 g/mol
Exact Mass573.25
IUPAC Nametert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H39NO6Si/c1-32(2,3)40-31(37)34-22-28(39-30(36)24-16-10-7-11-17-24)29(35)27(34)23-38-41(33(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-28H,22-23H2,1-6H3/t27-,28+/m1/s1
InChIKeyARPKEJLVPQKLLM-IZLXSDGUSA-N
XLogP4.98
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.76
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-benzyl 2-O-methyl (2S,3aS,7aS)-3a-benzoyloxy-6-oxo-2,3,7,7a-tetrahydroindole-1,2-dicarboxylate
CID 5461482
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)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]pyrrolidin-2-yl]methyl benzoate
CID 95975656
tert-butyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
CID 11546863
1-O-tert-butyl 2-O-[(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-2-enyl] (5S)-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 11636081
[(3R,4S)-2,4-dimethyl-5-oxo-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-1-en-3-yl] 2-diphenylphosphanylbenzoate
CID 100993117
N-(benzyloxycarbonyl)-trans-4-hydroxy-l-proline phenacyl ester
CID 124305649
benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
CID 134864863
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
benzyl (2R,3R,4R,5S)-4-benzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 146164271

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate (CID 11376588) is tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate?
The InChIKey is ARPKEJLVPQKLLM-IZLXSDGUSA-N. The full InChI is InChI=1S/C33H39NO6Si/c1-32(2,3)40-31(37)34-22-28(39-30(36)24-16-10-7-11-17-24)29(35)27(34)23-38-41(33(4,5)6,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,27-28H,22-23H2,1-6H3/t27-,28+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate has a molecular weight of 573.76 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11376588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).