[(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate

C25H43NO5Si2 — CID 10435813

About [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate

[(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate (PubChem CID 10435813) has the molecular formula C25H43NO5Si2 and a molecular weight of 493.79 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate.

Molecular Properties

• Compound Name: [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate
• PubChem CID: 10435813
• Molecular Formula: C25H43NO5Si2
• Molecular Weight: 493.79 g/mol
• Exact Mass: 493.27
• IUPAC Name: [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate
• SMILES: CC(=O)OC1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C25H43NO5Si2/c1-18(27)29-23-21(31-33(10,11)25(5,6)7)20(30-32(8,9)24(2,3)4)22(28)26(23)17-19-15-13-12-14-16-19/h12-16,20-21,23H,17H2,1-11H3/t20-,21-,23?/m1/s1
• InChIKey: XNRMIALYAVLKAK-OJOWTSHBSA-N
• XLogP: 5.70
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.79
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate?

The IUPAC name of [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate (CID 10435813) is [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate.

What is the SMILES notation for [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate?

The canonical SMILES for [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate is CC(=O)OC1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.

What is the InChIKey of [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate?

The InChIKey is XNRMIALYAVLKAK-OJOWTSHBSA-N. The full InChI is InChI=1S/C25H43NO5Si2/c1-18(27)29-23-21(31-33(10,11)25(5,6)7)20(30-32(8,9)24(2,3)4)22(28)26(23)17-19-15-13-12-14-16-19/h12-16,20-21,23H,17H2,1-11H3/t20-,21-,23?/m1/s1.

What are the key properties of [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate?

[(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate has a molecular weight of 493.79 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl] acetate is sourced from PubChem (CID 10435813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).