tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate

C20H40N2O4Si — CID 173250381

IUPACtert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC[SiH](C)O[C@@]1(C(=O)NC(C)(C)C)[C@@H](C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H40N2O4Si/c1-17(2,3)14-12-13-22(16(24)25-19(7,8)9)20(14,26-27(10)11)15(23)21-18(4,5)6/h14,27H,12-13H2,1-11H3,(H,21,23)/t14-,20-/m1/s1
InChIKeyVBCKZCQXWCFPJI-JLTOFOAXSA-N
MW400.64 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate

tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 173250381) has the molecular formula C20H40N2O4Si and a molecular weight of 400.64 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID173250381
Molecular FormulaC20H40N2O4Si
Molecular Weight400.64 g/mol
Exact Mass400.28
IUPAC Nametert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
SMILESC[SiH](C)O[C@@]1(C(=O)NC(C)(C)C)[C@@H](C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H40N2O4Si/c1-17(2,3)14-12-13-22(16(24)25-19(7,8)9)20(14,26-27(10)11)15(23)21-18(4,5)6/h14,27H,12-13H2,1-11H3,(H,21,23)/t14-,20-/m1/s1
InChIKeyVBCKZCQXWCFPJI-JLTOFOAXSA-N
XLogP3.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-3-tert-butyl-2-dimethylsilyloxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 173329573
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66688039
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 84801667

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate (CID 173250381) is tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate is C[SiH](C)O[C@@]1(C(=O)NC(C)(C)C)[C@@H](C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is VBCKZCQXWCFPJI-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H40N2O4Si/c1-17(2,3)14-12-13-22(16(24)25-19(7,8)9)20(14,26-27(10)11)15(23)21-18(4,5)6/h14,27H,12-13H2,1-11H3,(H,21,23)/t14-,20-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 400.64 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-tert-butyl-2-(tert-butylcarbamoyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 173250381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).