tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate

C30H45NO5Si — CID 140698051

IUPACtert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate
SMILESCOCCCO[C@@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C30H45NO5Si/c1-29(2,3)36-28(32)31-22-25(34-20-14-19-33-7)21-24(31)23-35-37(30(4,5)6,26-15-10-8-11-16-26)27-17-12-9-13-18-27/h8-13,15-18,24-25H,14,19-23H2,1-7H3/t24-,25-/m1/s1
InChIKeyAVIMRQWCIHOBRR-JWQCQUIFSA-N
MW527.78 g/mol
LogP4.99
Rot. Bonds10

About tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate (PubChem CID 140698051) has the molecular formula C30H45NO5Si and a molecular weight of 527.78 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate
PubChem CID140698051
Molecular FormulaC30H45NO5Si
Molecular Weight527.78 g/mol
Exact Mass527.31
IUPAC Nametert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate
SMILESCOCCCO[C@@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C30H45NO5Si/c1-29(2,3)36-28(32)31-22-25(34-20-14-19-33-7)21-24(31)23-35-37(30(4,5)6,26-15-10-8-11-16-26)27-17-12-9-13-18-27/h8-13,15-18,24-25H,14,19-23H2,1-7H3/t24-,25-/m1/s1
InChIKeyAVIMRQWCIHOBRR-JWQCQUIFSA-N
XLogP4.99
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.78
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-Butyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
tert-butyl (1R,3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10863327
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
trans-4-amino-1-tert-butoxycarbonyl(2S)-(tert-butyldiphenylsilyloxy)methylpyrrolidine
CID 69332987
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 170521985
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate (CID 140698051) is tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate is COCCCO[C@@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate?
The InChIKey is AVIMRQWCIHOBRR-JWQCQUIFSA-N. The full InChI is InChI=1S/C30H45NO5Si/c1-29(2,3)36-28(32)31-22-25(34-20-14-19-33-7)21-24(31)23-35-37(30(4,5)6,26-15-10-8-11-16-26)27-17-12-9-13-18-27/h8-13,15-18,24-25H,14,19-23H2,1-7H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate has a molecular weight of 527.78 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 140698051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).