dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate

C26H34FNO5Si — CID 142503988

IUPACdibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](F)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C26H34FNO5Si/c1-4-34(5-2,6-3)33-24-22(27)17-28(26(30)32-19-21-15-11-8-12-16-21)23(24)25(29)31-18-20-13-9-7-10-14-20/h7-16,22-24H,4-6,17-19H2,1-3H3/t22-,23+,24+/m0/s1
InChIKeyZUEAYWQJPDEVIM-RBZQAINGSA-N
MW487.64 g/mol
LogP5.48
Rot. Bonds10

About dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate

dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate (PubChem CID 142503988) has the molecular formula C26H34FNO5Si and a molecular weight of 487.64 g/mol. Its IUPAC name is dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
PubChem CID142503988
Molecular FormulaC26H34FNO5Si
Molecular Weight487.64 g/mol
Exact Mass487.22
IUPAC Namedibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](F)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C26H34FNO5Si/c1-4-34(5-2,6-3)33-24-22(27)17-28(26(30)32-19-21-15-11-8-12-16-21)23(24)25(29)31-18-20-13-9-7-10-14-20/h7-16,22-24H,4-6,17-19H2,1-3H3/t22-,23+,24+/m0/s1
InChIKeyZUEAYWQJPDEVIM-RBZQAINGSA-N
XLogP5.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate (CID 142503988) is dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate is CC[Si](CC)(CC)O[C@@H]1[C@@H](F)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?
The InChIKey is ZUEAYWQJPDEVIM-RBZQAINGSA-N. The full InChI is InChI=1S/C26H34FNO5Si/c1-4-34(5-2,6-3)33-24-22(27)17-28(26(30)32-19-21-15-11-8-12-16-21)23(24)25(29)31-18-20-13-9-7-10-14-20/h7-16,22-24H,4-6,17-19H2,1-3H3/t22-,23+,24+/m0/s1.
What are the key properties of dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?
dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate has a molecular weight of 487.64 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2R,3S,4S)-4-fluoro-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 142503988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).