tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate

C30H45NO3Si — CID 54275258

IUPACtert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
SMILESCCCCN1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C30H45NO3Si/c1-8-9-20-31-22-24(21-27(31)28(32)34-29(2,3)4)23-33-35(30(5,6)7,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,24,27H,8-9,20-23H2,1-7H3
InChIKeyRMYNAXYCVYFBQN-UHFFFAOYSA-N
MW495.78 g/mol
LogP5.40
Rot. Bonds9

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

tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate (PubChem CID 54275258) has the molecular formula C30H45NO3Si and a molecular weight of 495.78 g/mol. Its IUPAC name is tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
PubChem CID54275258
Molecular FormulaC30H45NO3Si
Molecular Weight495.78 g/mol
Exact Mass495.32
IUPAC Nametert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate
SMILESCCCCN1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C30H45NO3Si/c1-8-9-20-31-22-24(21-27(31)28(32)34-29(2,3)4)23-33-35(30(5,6)7,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,24,27H,8-9,20-23H2,1-7H3
InChIKeyRMYNAXYCVYFBQN-UHFFFAOYSA-N
XLogP5.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.78
LogP ≤ 55.40
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

methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate
CID 57409149
(+/-)-(2s,3r,5r)-1-Benzyl-2-vinyl-3-(t-butyldimethylsilyloxymethyl)-pyrrolidine-5-carboxylic acid t-butyl ester
CID 11189651
1-(tert-Butyl) 2-methyl (2S,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11340673
tert-Butyl (2S,3S)-3-(((tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine-2-carboxylate
CID 15342153
Boc-D-aMeaHyp(TBDPS)-OMe
CID 15863905
Boc-aMeHyp(TBDPS)-OMe
CID 15863906
(+/-)-(2r,3r,5r)-1-Benzyl-2-vinyl-3-t-butyldiphenylsilyloxymethyl-pyrrolidine-5-carboxylic acid t-butyl ester
CID 57001250
Tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-ethylpyrrolidine-2-carboxylate
CID 57066288
ditert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(oxiran-2-yl)pyrrolidine-1,2-dicarboxylate
CID 57160292
(2S,3R)-3-(tert-butyldiphenylsilanoxy)pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester
CID 57974634
1-(tert-Butyl) 2-methyl (2S,4S)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 67033210
1-(tert-Butyl) 2-methyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 67034263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate (CID 54275258) is tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate is CCCCN1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
The InChIKey is RMYNAXYCVYFBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO3Si/c1-8-9-20-31-22-24(21-27(31)28(32)34-29(2,3)4)23-33-35(30(5,6)7,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,24,27H,8-9,20-23H2,1-7H3.
What are the key properties of tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate?
tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate has a molecular weight of 495.78 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 54275258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).