tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate

C29H39NO4Si — CID 58011500

IUPACtert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C29H39NO4Si/c1-8-15-22-20-23(30(26(22)31)27(32)34-28(2,3)4)21-33-35(29(5,6)7,24-16-11-9-12-17-24)25-18-13-10-14-19-25/h8-14,16-19,22-23H,1,15,20-21H2,2-7H3/t22-,23?/m1/s1
InChIKeyNDILXDZPYMQLSK-WTQRLHSKSA-N
MW493.72 g/mol
LogP5.29
Rot. Bonds7

About tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 58011500) has the molecular formula C29H39NO4Si and a molecular weight of 493.72 g/mol. Its IUPAC name is tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID58011500
Molecular FormulaC29H39NO4Si
Molecular Weight493.72 g/mol
Exact Mass493.26
IUPAC Nametert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C29H39NO4Si/c1-8-15-22-20-23(30(26(22)31)27(32)34-28(2,3)4)21-33-35(29(5,6)7,24-16-11-9-12-17-24)25-18-13-10-14-19-25/h8-14,16-19,22-23H,1,15,20-21H2,2-7H3/t22-,23?/m1/s1
InChIKeyNDILXDZPYMQLSK-WTQRLHSKSA-N
XLogP5.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.72
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(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 (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-iodo-6-methylhept-4-en-2-yl]pyrrolidine-1-carboxylate
CID 11735069
(1R,3S,5R)-2-Boc-3-[[(tert-butyldiphenylsilyl)oxy]methyl]-2-azabicyclo[3.1.0]hexane
CID 10863327
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(4R)-4-benzyl-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(3-fluorophenyl)methyl]pentanoyl]-1,3-oxazolidin-2-one
CID 172246541
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate (CID 58011500) is tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@H]1CC(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)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is NDILXDZPYMQLSK-WTQRLHSKSA-N. The full InChI is InChI=1S/C29H39NO4Si/c1-8-15-22-20-23(30(26(22)31)27(32)34-28(2,3)4)21-33-35(29(5,6)7,24-16-11-9-12-17-24)25-18-13-10-14-19-25/h8-14,16-19,22-23H,1,15,20-21H2,2-7H3/t22-,23?/m1/s1.
What are the key properties of tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 493.72 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58011500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).