tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

C34H47NO5Si — CID 11813872

IUPACtert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@@H](/C=C1/C[C@@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)OC1=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H47NO5Si/c1-25(24-38-41(33(5,6)7,27-16-11-9-12-17-27)28-18-13-10-14-19-28)22-26-23-34(8,39-30(26)36)29-20-15-21-35(29)31(37)40-32(2,3)4/h9-14,16-19,22,25,29H,15,20-21,23-24H2,1-8H3/b26-22-/t25-,29-,34-/m0/s1
InChIKeyVPMBKGCWBPFUFP-DWVSKQGVSA-N
MW577.84 g/mol
LogP6.23
Rot. Bonds7

About tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11813872) has the molecular formula C34H47NO5Si and a molecular weight of 577.84 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
PubChem CID11813872
Molecular FormulaC34H47NO5Si
Molecular Weight577.84 g/mol
Exact Mass577.32
IUPAC Nametert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@@H](/C=C1/C[C@@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)OC1=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H47NO5Si/c1-25(24-38-41(33(5,6)7,27-16-11-9-12-17-27)28-18-13-10-14-19-28)22-26-23-34(8,39-30(26)36)29-20-15-21-35(29)31(37)40-32(2,3)4/h9-14,16-19,22,25,29H,15,20-21,23-24H2,1-8H3/b26-22-/t25-,29-,34-/m0/s1
InChIKeyVPMBKGCWBPFUFP-DWVSKQGVSA-N
XLogP6.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.84
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 2-O-[(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-2-enyl] (5S)-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 11636081
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
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
benzyl (2S)-2-[(2S)-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 71714133
benzyl (2R,3R)-2-(benzoyloxymethyl)-3-methyl-3-triethylsilyloxypyrrolidine-1-carboxylate
CID 134864863
tert-butyl (2R)-2-[(6R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]pyrrolidine-1-carboxylate
CID 135025801
1-O-benzyl 2-O-tert-butyl (2S,5R)-5-[(Z)-5-methoxy-4-methyl-5-oxopent-3-enyl]pyrrolidine-1,2-dicarboxylate
CID 58566064
1-O-benzyl 2-O-tert-butyl (2S,5S)-5-[(Z)-5-methoxy-4-methyl-5-oxopent-3-enyl]pyrrolidine-1,2-dicarboxylate
CID 58566118
(2R)-2-[[(4S,5S)-4-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]hex-4-enoic acid
CID 67626350
benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxycarbonyl]but-3-enyl]pyrrolidine-1-carboxylate
CID 70457433
benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]pyrrolidine-1-carboxylate
CID 70457435
tert-butyl (2S)-2-[(1R)-1-benzoyloxyethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 178107601

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (CID 11813872) is tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is C[C@@H](/C=C1/C[C@@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)OC1=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is VPMBKGCWBPFUFP-DWVSKQGVSA-N. The full InChI is InChI=1S/C34H47NO5Si/c1-25(24-38-41(33(5,6)7,27-16-11-9-12-17-27)28-18-13-10-14-19-28)22-26-23-34(8,39-30(26)36)29-20-15-21-35(29)31(37)40-32(2,3)4/h9-14,16-19,22,25,29H,15,20-21,23-24H2,1-8H3/b26-22-/t25-,29-,34-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 577.84 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11813872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).