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

C34H50N2O6Si — CID 66697669

About 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-1-[(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)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 66697669) 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)-1-[(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)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 66697669
• 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)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1[C@H]1OC(C)(C)N(C(=O)OCC[Si](C)(C)C)[C@H]1Cc1ccccc1
• InChI: InChI=1S/C34H50N2O6Si/c1-33(2,3)42-31(37)35-23-27(40-24-26-17-13-10-14-18-26)22-28(35)30-29(21-25-15-11-9-12-16-25)36(34(4,5)41-30)32(38)39-19-20-43(6,7)8/h9-18,27-30H,19-24H2,1-8H3/t27-,28-,29+,30-/m1/s1
• InChIKey: PYIQPGRXBVDAPS-GKIKGMKOSA-N
• XLogP: 7.10
• TPSA: 77.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.87
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-1-[(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)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (CID 66697669) is 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-1-[(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)-1-[(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)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1[C@H]1OC(C)(C)N(C(=O)OCC[Si](C)(C)C)[C@H]1Cc1ccccc1.

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

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

What are the key properties of 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-1-[(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)-1-[(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 7.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (4S,5R)-4-benzyl-2,2-dimethyl-5-[(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 66697669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).