tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

C16H33NO3Si — CID 101247389

IUPACtert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)20-14(18)17-11-9-10-13(17)12-19-21(7,8)16(4,5)6/h13H,9-12H2,1-8H3/t13-/m1/s1
InChIKeyLYOATBMBFDXPMT-CYBMUJFWSA-N
MW315.53 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 101247389) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID101247389
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Nametert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)20-14(18)17-11-9-10-13(17)12-19-21(7,8)16(4,5)6/h13H,9-12H2,1-8H3/t13-/m1/s1
InChIKeyLYOATBMBFDXPMT-CYBMUJFWSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11078078
tert-butyl (2R,4S)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66962096
tert-butyl (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-4-oxobut-2-ynyl]pyrrolidine-1-carboxylate
CID 11004164
1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
1,1-Dimethylethyl (2R,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
CID 10925602
(2R,3R)-3-(tert-Butyldimethylsilanyloxy)-2-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
CID 11012982
(2S)-2-[[tert-Butyldimethylsilyloxy]methyl]-4-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
CID 11099551
(2R,3S)-tert-butyl 2-((tert-butyldimethylsilyloxy)methyl)-3-hydroxypyrrolidine-1-carboxylate
CID 14462925
tert-butyl (2S)-2-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)pyrrolidine-1-carboxylate
CID 57727721
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 142420572
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 156774276
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 174094958

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (CID 101247389) is tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is LYOATBMBFDXPMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-15(2,3)20-14(18)17-11-9-10-13(17)12-19-21(7,8)16(4,5)6/h13H,9-12H2,1-8H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 315.53 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 101247389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).