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

C30H45NO4SiSn — CID 11061202

IUPACtert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](C[Sn](C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36NO4Si.3CH3.Sn/c1-20-18-21(28(24(20)29)25(30)32-26(2,3)4)19-31-33(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;;;;/h8-17,20-21H,1,18-19H2,2-7H3;3*1H3;/t20-,21-;;;;/m0..../s1
InChIKeyNENZZBBXCKYVDK-GOPWMECQSA-N
MW630.49 g/mol
LogP6.05
Rot. Bonds7

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

tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate (PubChem CID 11061202) has the molecular formula C30H45NO4SiSn and a molecular weight of 630.49 g/mol. Its IUPAC name is tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate
PubChem CID11061202
Molecular FormulaC30H45NO4SiSn
Molecular Weight630.49 g/mol
Exact Mass631.21
IUPAC Nametert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](C[Sn](C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36NO4Si.3CH3.Sn/c1-20-18-21(28(24(20)29)25(30)32-26(2,3)4)19-31-33(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;;;;/h8-17,20-21H,1,18-19H2,2-7H3;3*1H3;/t20-,21-;;;;/m0..../s1
InChIKeyNENZZBBXCKYVDK-GOPWMECQSA-N
XLogP6.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]tin
CID 141457227
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
CID 77297161
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
tert-butyl (2S,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dideuterio-5-hydroxypyrrolidine-1-carboxylate
CID 10994149
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
tert-butyl (2S,4S)-4-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 140846318
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(dimethylamino)pyrrolidine-1-carboxylate
CID 139939732
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-prop-2-enylpyrrolidine-1-carboxylate
CID 101384187
tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidene-2-oxopyrrolidine-1-carboxylate
CID 164561704
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
CID 10719141
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 178077601

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate (CID 11061202) is tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](C[Sn](C)(C)C)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is NENZZBBXCKYVDK-GOPWMECQSA-N. The full InChI is InChI=1S/C27H36NO4Si.3CH3.Sn/c1-20-18-21(28(24(20)29)25(30)32-26(2,3)4)19-31-33(27(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;;;;/h8-17,20-21H,1,18-19H2,2-7H3;3*1H3;/t20-,21-;;;;/m0..../s1.
What are the key properties of tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate?
tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 630.49 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11061202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).