tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate

C22H38N2O3Si — CID 178182927

IUPACtert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](Cc2ccncc2)C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38N2O3Si/c1-21(2,3)27-20(25)24-15-18(13-17-9-11-23-12-10-17)14-19(24)16-26-28(7,8)22(4,5)6/h9-12,18-19H,13-16H2,1-8H3/t18-,19-/m1/s1
InChIKeyFMMKSJZEPZNVOY-RTBURBONSA-N
MW406.64 g/mol
LogP5.27
Rot. Bonds5

About tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 178182927) has the molecular formula C22H38N2O3Si and a molecular weight of 406.64 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID178182927
Molecular FormulaC22H38N2O3Si
Molecular Weight406.64 g/mol
Exact Mass406.27
IUPAC Nametert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](Cc2ccncc2)C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38N2O3Si/c1-21(2,3)27-20(25)24-15-18(13-17-9-11-23-12-10-17)14-19(24)16-26-28(7,8)22(4,5)6/h9-12,18-19H,13-16H2,1-8H3/t18-,19-/m1/s1
InChIKeyFMMKSJZEPZNVOY-RTBURBONSA-N
XLogP5.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 55.27
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

tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
CID 68813626
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 169084975
tert-butyl 4-[(4-fluorophenyl)methyl]-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 126676776
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 56595124
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(Z)-3,3,3-trifluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 145444558
tert-butyl (2S,4S)-4-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 140846318
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
tert-butyl (2S,4R)-4-hydroxy-2-(trimethylsilyloxymethyl)pyrrolidine-1-carboxylate
CID 50916738
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate (CID 178182927) is tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](Cc2ccncc2)C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is FMMKSJZEPZNVOY-RTBURBONSA-N. The full InChI is InChI=1S/C22H38N2O3Si/c1-21(2,3)27-20(25)24-15-18(13-17-9-11-23-12-10-17)14-19(24)16-26-28(7,8)22(4,5)6/h9-12,18-19H,13-16H2,1-8H3/t18-,19-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 406.64 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 178182927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).