benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate

C34H39NO5Si — CID 11039075

IUPACbenzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@]2(C)C=CC(=O)O2)N1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39NO5Si/c1-33(2,3)41(28-16-10-6-11-17-28,29-18-12-7-13-19-29)39-25-27-20-21-30(34(4)23-22-31(36)40-34)35(27)32(37)38-24-26-14-8-5-9-15-26/h5-19,22-23,27,30H,20-21,24-25H2,1-4H3/t27-,30-,34-/m0/s1
InChIKeyONQMYZBMCJSPJT-XODAODHESA-N
MW569.77 g/mol
LogP5.60
Rot. Bonds8

About benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate

benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11039075) has the molecular formula C34H39NO5Si and a molecular weight of 569.77 g/mol. Its IUPAC name is benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate
PubChem CID11039075
Molecular FormulaC34H39NO5Si
Molecular Weight569.77 g/mol
Exact Mass569.26
IUPAC Namebenzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@]2(C)C=CC(=O)O2)N1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39NO5Si/c1-33(2,3)41(28-16-10-6-11-17-28,29-18-12-7-13-19-29)39-25-27-20-21-30(34(4)23-22-31(36)40-34)35(27)32(37)38-24-26-14-8-5-9-15-26/h5-19,22-23,27,30H,20-21,24-25H2,1-4H3/t27-,30-,34-/m0/s1
InChIKeyONQMYZBMCJSPJT-XODAODHESA-N
XLogP5.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.77
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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,4R)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethylidene)pyrrolidine-1-carboxylate
CID 11467584
methyl (E)-4-oxo-4-[(5S)-2-oxo-5-(trityloxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 10885174
tert-butyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
CID 11546863
tert-butyl (2R,5S)-2-[(4S)-1-[tert-butyl(diphenyl)silyl]oxyoct-7-en-4-yl]-2-ethenyl-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 11578412
1-O-tert-butyl 2-O-[(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-2-enyl] (5S)-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 11636081
(2S,5S)-2-[(3R)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-en-3-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
CID 11700328
1-O-tert-butyl 2-O-methyl (2S,5S)-2-[(4S)-1-[tert-butyl(diphenyl)silyl]oxyoct-7-en-4-yl]-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 12171874
benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
CID 15681095
tert-butyl (4R,5S)-5-[(1S)-1-[(2R,3R,4E,6E,8E,10E,12S,14S,16Z,18E,20Z,22E)-12-[tert-butyl(diphenyl)silyl]oxy-14-methoxy-3,6,17,20-tetramethyl-24-oxo-1-oxacyclotetracosa-4,6,8,10,16,18,20,22-octaen-2-yl]ethyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 24824417
tert-butyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(1S,2E,5S,8E,14E,17S)-3-methyl-11,19-dimethylidene-7-oxo-13-phenylmethoxy-6,21-dioxabicyclo[15.3.1]henicosa-2,8,14-trien-5-yl]ethyl]carbamate
CID 25022983
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2-(trityloxymethyl)-2,3-dihydropyridine-1-carboxylate
CID 71817266

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate (CID 11039075) is benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@]2(C)C=CC(=O)O2)N1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is ONQMYZBMCJSPJT-XODAODHESA-N. The full InChI is InChI=1S/C34H39NO5Si/c1-33(2,3)41(28-16-10-6-11-17-28,29-18-12-7-13-19-29)39-25-27-20-21-30(34(4)23-22-31(36)40-34)35(27)32(37)38-24-26-14-8-5-9-15-26/h5-19,22-23,27,30H,20-21,24-25H2,1-4H3/t27-,30-,34-/m0/s1.
What are the key properties of benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate?
benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 569.77 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S)-2-methyl-5-oxofuran-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).