2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate

C34H50N2O6Si — CID 67085000

About 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate

2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 67085000) has the molecular formula C34H50N2O6Si and a molecular weight of 610.87 g/mol. Its IUPAC name is 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 67085000
• Molecular Formula: C34H50N2O6Si
• Molecular Weight: 610.87 g/mol
• Exact Mass: 610.34
• IUPAC Name: 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)[C@]1([C@@H]2OC(C)(C)N(C(=O)OCC[Si](C)(C)C)[C@H]2Cc2ccccc2)C[C@@H](OCc2ccccc2)CN1
• InChI: InChI=1S/C34H50N2O6Si/c1-32(2,3)42-30(37)34(22-27(23-35-34)40-24-26-17-13-10-14-18-26)29-28(21-25-15-11-9-12-16-25)36(33(4,5)41-29)31(38)39-19-20-43(6,7)8/h9-18,27-29,35H,19-24H2,1-8H3/t27-,28+,29-,34-/m1/s1
• InChIKey: ILXUWPUUHXDWLR-MNFIMQGSSA-N
• XLogP: 6.17
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.87
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

The IUPAC name of 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (CID 67085000) is 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)[C@]1([C@@H]2OC(C)(C)N(C(=O)OCC[Si](C)(C)C)[C@H]2Cc2ccccc2)C[C@@H](OCc2ccccc2)CN1.

What is the InChIKey of 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

The InChIKey is ILXUWPUUHXDWLR-MNFIMQGSSA-N. The full InChI is InChI=1S/C34H50N2O6Si/c1-32(2,3)42-30(37)34(22-27(23-35-34)40-24-26-17-13-10-14-18-26)29-28(21-25-15-11-9-12-16-25)36(33(4,5)41-29)31(38)39-19-20-43(6,7)8/h9-18,27-29,35H,19-24H2,1-8H3/t27-,28+,29-,34-/m1/s1.

What are the key properties of 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 610.87 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 67085000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).