trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate

C13H24F3NO4Si2 — CID 22295281

IUPACtrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1CC(O[Si](C)(C)C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO4Si2/c1-22(2,3)20-9-7-10(11(18)21-23(4,5)6)17(8-9)12(19)13(14,15)16/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyQLNHQMUXTLVSSX-AXDSSHIGSA-N
MW371.50 g/mol
LogP2.75
Rot. Bonds4

About trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate

trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate (PubChem CID 22295281) has the molecular formula C13H24F3NO4Si2 and a molecular weight of 371.50 g/mol. Its IUPAC name is trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
PubChem CID22295281
Molecular FormulaC13H24F3NO4Si2
Molecular Weight371.50 g/mol
Exact Mass371.12
IUPAC Nametrimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1CC(O[Si](C)(C)C)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO4Si2/c1-22(2,3)20-9-7-10(11(18)21-23(4,5)6)17(8-9)12(19)13(14,15)16/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyQLNHQMUXTLVSSX-AXDSSHIGSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.75
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

Trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
CID 553925
Butan-2-yl 1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
CID 596215
4-Trifluoroacetoxy-1-(2,2,2-trifluoro-acetyl)-pyrrolidine-2-carboxylic acid, methyl ester
CID 596516
Trimethylsilyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 597330
Trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
CID 620369
Hydroxyproline, N,O-di(trifluoroacetyl)-, n-butyl ester
CID 15607432
L-Proline, 1-(trifluoroacetyl)-4-[(trifluoroacetyl)oxy]-, trimethylsilyl ester, trans-
CID 22214376
L-Proline, 1-(trifluoroacetyl)-4-[(trifluoroacetyl)oxy]-, 1-methylpropyl ester, trans-
CID 22217302
L-Proline, 1-(trifluoroacetyl)-, trimethylsilyl ester
CID 22217354
N-acetyl-hydroxyproline trimethylsilyl ester
CID 129709843
trimethylsilyl (2S,4R)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
CID 57507541
butan-2-yl (2S,4R)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
CID 101640140

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate (CID 22295281) is trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate is C[Si](C)(C)OC(=O)[C@@H]1CC(O[Si](C)(C)C)CN1C(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The InChIKey is QLNHQMUXTLVSSX-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H24F3NO4Si2/c1-22(2,3)20-9-7-10(11(18)21-23(4,5)6)17(8-9)12(19)13(14,15)16/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1.
What are the key properties of trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate has a molecular weight of 371.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 22295281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).