1-trimethylsilylethyl 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 66697587

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

1-trimethylsilylethyl 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 66697587) has the molecular formula C34H50N2O6Si and a molecular weight of 610.87 g/mol. Its IUPAC name is 1-trimethylsilylethyl 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: 1-trimethylsilylethyl 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: 66697587
• Molecular Formula: C34H50N2O6Si
• Molecular Weight: 610.87 g/mol
• Exact Mass: 610.34
• IUPAC Name: 1-trimethylsilylethyl 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(OC(=O)N1C(Cc2ccccc2)C([C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)OC(C)(C)C)OC1(C)C)[Si](C)(C)C
• InChI: InChI=1S/C34H50N2O6Si/c1-24(43(7,8)9)40-32(38)36-29(20-25-16-12-10-13-17-25)30(41-34(36,5)6)28-21-27(39-23-26-18-14-11-15-19-26)22-35(28)31(37)42-33(2,3)4/h10-19,24,27-30H,20-23H2,1-9H3/t24?,27-,28-,29?,30?/m1/s1
• InChIKey: QPBKCOPCNNDPBE-ADJUWAQESA-N
• XLogP: 7.03
• TPSA: 77.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.87
LogP ≤ 5	7.03
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 1-trimethylsilylethyl 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 1-trimethylsilylethyl 4-benzyl-2,2-dimethyl-5-[(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (CID 66697587) is 1-trimethylsilylethyl 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 1-trimethylsilylethyl 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 1-trimethylsilylethyl 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(OC(=O)N1C(Cc2ccccc2)C([C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)OC(C)(C)C)OC1(C)C)[Si](C)(C)C.

What is the InChIKey of 1-trimethylsilylethyl 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 QPBKCOPCNNDPBE-ADJUWAQESA-N. The full InChI is InChI=1S/C34H50N2O6Si/c1-24(43(7,8)9)40-32(38)36-29(20-25-16-12-10-13-17-25)30(41-34(36,5)6)28-21-27(39-23-26-18-14-11-15-19-26)22-35(28)31(37)42-33(2,3)4/h10-19,24,27-30H,20-23H2,1-9H3/t24?,27-,28-,29?,30?/m1/s1.

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

1-trimethylsilylethyl 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 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-trimethylsilylethyl 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 66697587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).