tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate

C17H35NO3Si — CID 11088799

IUPACtert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35NO3Si/c1-13-10-14(12-20-22(8,9)17(5,6)7)18(11-13)15(19)21-16(2,3)4/h13-14H,10-12H2,1-9H3/t13-,14-/m0/s1
InChIKeyDVAIYGGNVBQHAQ-KBPBESRZSA-N
MW329.56 g/mol
LogP4.65
Rot. Bonds3

About tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate

tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate (PubChem CID 11088799) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate
PubChem CID11088799
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Nametert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate
SMILESC[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35NO3Si/c1-13-10-14(12-20-22(8,9)17(5,6)7)18(11-13)15(19)21-16(2,3)4/h13-14H,10-12H2,1-9H3/t13-,14-/m0/s1
InChIKeyDVAIYGGNVBQHAQ-KBPBESRZSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.65
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 (2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 10948988
tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11014458
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 142420572
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 174094958
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidine-1-carboxylate
CID 101007275
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 101247389
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 102296645
Tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 85342238
(2R,4R)-4-(tert-butyldimethylsilyloxy)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine
CID 10979991
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
CID 11002477
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyanopyrrolidine-1-carboxylate
CID 11313822
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate
CID 11405708

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate (CID 11088799) is tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate is C[C@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate?
The InChIKey is DVAIYGGNVBQHAQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-13-10-14(12-20-22(8,9)17(5,6)7)18(11-13)15(19)21-16(2,3)4/h13-14H,10-12H2,1-9H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate has a molecular weight of 329.56 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11088799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).