tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate

C34H43NO6Si — CID 10793524

IUPACtert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](OCOCc2ccccc2)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H43NO6Si/c1-33(2,3)41-32(37)35-27(22-30(31(35)36)39-25-38-23-26-16-10-7-11-17-26)24-40-42(34(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,27,30H,22-25H2,1-6H3/t27-,30+/m1/s1
InChIKeyUZJTWBSHMOHWTR-OFSOJUDTSA-N
MW589.81 g/mol
LogP5.66
Rot. Bonds10

About tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate

tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate (PubChem CID 10793524) has the molecular formula C34H43NO6Si and a molecular weight of 589.81 g/mol. Its IUPAC name is tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate
PubChem CID10793524
Molecular FormulaC34H43NO6Si
Molecular Weight589.81 g/mol
Exact Mass589.29
IUPAC Nametert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](OCOCc2ccccc2)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H43NO6Si/c1-33(2,3)41-32(37)35-27(22-30(31(35)36)39-25-38-23-26-16-10-7-11-17-26)24-40-42(34(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,27,30H,22-25H2,1-6H3/t27-,30+/m1/s1
InChIKeyUZJTWBSHMOHWTR-OFSOJUDTSA-N
XLogP5.66
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.81
LogP ≤ 55.66
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 (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11144938
(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
(5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-3-[(2S)-1-phenylbut-3-en-2-yl]-2-(phenylselanylmethyl)-1,3-oxazolidin-4-one
CID 12033109
(4S)-3-[(2S)-2-(methoxymethoxy)-2-phenylacetyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893991
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
benzyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 10579528
(4R,5S)-3-[(E,3S,11S)-11-[tert-butyl(diphenyl)silyl]oxy-3-hydroxydodec-6-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10604014
(5S)-1-[(3R)-3-trimethylsilylbutanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10625185
(4R,5S)-3-[(E,3R,11S)-11-[tert-butyl(diphenyl)silyl]oxy-3-hydroxydodec-6-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10794035
tert-butyl (3R,5S)-3-hydroxy-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 15280240
Lseddqunylzgib-ngdrwemdsa-
CID 15479411

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate (CID 10793524) is tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](OCOCc2ccccc2)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate?
The InChIKey is UZJTWBSHMOHWTR-OFSOJUDTSA-N. The full InChI is InChI=1S/C34H43NO6Si/c1-33(2,3)41-32(37)35-27(22-30(31(35)36)39-25-38-23-26-16-10-7-11-17-26)24-40-42(34(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,27,30H,22-25H2,1-6H3/t27-,30+/m1/s1.
What are the key properties of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate?
tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate has a molecular weight of 589.81 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(phenylmethoxymethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10793524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).