tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate

C16H33NO3Si — CID 135017071

IUPACtert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](OC(C)(C)C)C[C@H]1[Si](C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)19-12-10-13(21(7,8)9)17(11-12)14(18)20-16(4,5)6/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1
InChIKeyHAPZNWWXNUIVNZ-QWHCGFSZSA-N
MW315.53 g/mol
LogP4.06
Rot. Bonds2

About tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate (PubChem CID 135017071) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate
PubChem CID135017071
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Nametert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](OC(C)(C)C)C[C@H]1[Si](C)(C)C
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)19-12-10-13(21(7,8)9)17(11-12)14(18)20-16(4,5)6/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1
InChIKeyHAPZNWWXNUIVNZ-QWHCGFSZSA-N
XLogP4.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.06
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)-2-trimethylsilylpiperidine-1-carboxylate
CID 11594083
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethoxy)pyrrolidine-2-carboxylic acid
CID 146049042
tert-butyl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708119
tert-butyl (2S)-2-acetylaziridine-1-carboxylate
CID 125477207
tert-butyl (1S,2R,5R)-7-methyl-2-trimethylsilyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 15484301
tert-butyl 5-carbonochloridoyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 142456340
(4R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxylic acid
CID 90779724
4-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 168754326
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 11435798
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate (CID 135017071) is tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](OC(C)(C)C)C[C@H]1[Si](C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate?
The InChIKey is HAPZNWWXNUIVNZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-15(2,3)19-12-10-13(21(7,8)9)17(11-12)14(18)20-16(4,5)6/h12-13H,10-11H2,1-9H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate has a molecular weight of 315.53 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-trimethylsilylpyrrolidine-1-carboxylate is sourced from PubChem (CID 135017071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).