tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

C30H41NO5Si — CID 10839786

IUPACtert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H]1[C@H]1CCC(=O)O1
InChIInChI=1S/C30H41NO5Si/c1-29(2,3)36-28(33)31-22(17-18-25(31)26-19-20-27(32)35-26)21-34-37(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25-26H,17-21H2,1-6H3/t22-,25-,26-/m1/s1
InChIKeyUVXOEBWXAVOCOS-DNRSQYFGSA-N
MW523.75 g/mol
LogP5.04
Rot. Bonds6

About tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 10839786) has the molecular formula C30H41NO5Si and a molecular weight of 523.75 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
PubChem CID10839786
Molecular FormulaC30H41NO5Si
Molecular Weight523.75 g/mol
Exact Mass523.28
IUPAC Nametert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H]1[C@H]1CCC(=O)O1
InChIInChI=1S/C30H41NO5Si/c1-29(2,3)36-28(33)31-22(17-18-25(31)26-19-20-27(32)35-26)21-34-37(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25-26H,17-21H2,1-6H3/t22-,25-,26-/m1/s1
InChIKeyUVXOEBWXAVOCOS-DNRSQYFGSA-N
XLogP5.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.75
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
tert-butyl (2S)-2-[(2S,4Z)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-2-methyl-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 11813872
1-(tert-Butyl) 2-methyl (2S,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11340673
ditert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(oxiran-2-yl)pyrrolidine-1,2-dicarboxylate
CID 57160292
[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methyl(tetradecyl)amino]propoxy]decan-3-yl] dodecanoate
CID 57757077
(2S,3R)-3-(tert-butyldiphenylsilanoxy)pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester
CID 57974634
tert-butyl (2R,3R,5R)-5-acetyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 60128269
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
O1-tert-butyl O2-methyl 4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 67034304
3(R)-But-2-enyl-5(S)-[5-tert-butyl-diphenylsilyloxy-1(S)-tert-butoxycarbonylamino-3,3-dimethyl-pentyl]-2-oxo-tetrahydrofuran
CID 67625916
(2R)-2-[[(4S,5S)-4-[4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylbutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]methyl]hex-4-enoic acid
CID 67626350

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (CID 10839786) is tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H]1[C@H]1CCC(=O)O1.
What is the InChIKey of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is UVXOEBWXAVOCOS-DNRSQYFGSA-N. The full InChI is InChI=1S/C30H41NO5Si/c1-29(2,3)36-28(33)31-22(17-18-25(31)26-19-20-27(32)35-26)21-34-37(30(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22,25-26H,17-21H2,1-6H3/t22-,25-,26-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 523.75 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10839786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).