methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate

C32H39NO6Si — CID 10840617

IUPACmethyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](OCOCc2ccccc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H39NO6Si/c1-32(2,3)40(27-16-10-6-11-17-27,28-18-12-7-13-19-28)39-23-26-20-29(31(35)33(26)21-30(34)36-4)38-24-37-22-25-14-8-5-9-15-25/h5-19,26,29H,20-24H2,1-4H3/t26-,29-/m0/s1
InChIKeyRJOVGLQQCDTMOK-WNJJXGMVSA-N
MW561.75 g/mol
LogP3.90
Rot. Bonds12

About methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate

methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate (PubChem CID 10840617) has the molecular formula C32H39NO6Si and a molecular weight of 561.75 g/mol. Its IUPAC name is methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate
PubChem CID10840617
Molecular FormulaC32H39NO6Si
Molecular Weight561.75 g/mol
Exact Mass561.25
IUPAC Namemethyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](OCOCc2ccccc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H39NO6Si/c1-32(2,3)40(27-16-10-6-11-17-27,28-18-12-7-13-19-28)39-23-26-20-29(31(35)33(26)21-30(34)36-4)38-24-37-22-25-14-8-5-9-15-25/h5-19,26,29H,20-24H2,1-4H3/t26-,29-/m0/s1
InChIKeyRJOVGLQQCDTMOK-WNJJXGMVSA-N
XLogP3.90
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R,4S)-4-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxopyrrolidine-1-carboxylate
CID 11376588
(E,2S,3R)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxymethyl)-2-phenylmethoxyhex-4-en-1-one
CID 11445588
1-O-tert-butyl 2-O-[(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-2-enyl] (5S)-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 11636081
tert-butyl (3S,4R,5R)-2-oxo-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 46209609
benzyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(2,2,2-trifluoroacetyl)oxypyrrolidine-1-carboxylate
CID 101229168
(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 10744100
Lseddqunylzgib-ngdrwemdsa-
CID 15479411
dibenzyl (2S)-4-acetyloxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 15136311
(2R,4R)-4-(tert-butyl-diphenyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester
CID 67482921
benzyl (2R)-1-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylate
CID 68417019
benzyl (2R)-1-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-oxopyrrolidine-2-carboxylate
CID 68417020
cis4-(tert-butyldimethylsilyloxy)-N-benzyloxycarbonyl-D-proline 2-oxo-1,2-diphenylethyl ester
CID 69996365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate (CID 10840617) is methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate is COC(=O)CN1C(=O)[C@@H](OCOCc2ccccc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate?
The InChIKey is RJOVGLQQCDTMOK-WNJJXGMVSA-N. The full InChI is InChI=1S/C32H39NO6Si/c1-32(2,3)40(27-16-10-6-11-17-27,28-18-12-7-13-19-28)39-23-26-20-29(31(35)33(26)21-30(34)36-4)38-24-37-22-25-14-8-5-9-15-25/h5-19,26,29H,20-24H2,1-4H3/t26-,29-/m0/s1.
What are the key properties of methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate?
methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate has a molecular weight of 561.75 g/mol, XLogP of 3.90, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 10840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).