tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate

C31H49FN2O6Si — CID 68815845

About tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate

tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate (PubChem CID 68815845) has the molecular formula C31H49FN2O6Si and a molecular weight of 592.83 g/mol. Its IUPAC name is tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
• PubChem CID: 68815845
• Molecular Formula: C31H49FN2O6Si
• Molecular Weight: 592.83 g/mol
• Exact Mass: 592.33
• IUPAC Name: tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
• SMILES: CC(C)C1COC(=O)N1C(=O)C(Cc1ccccc1)C(O[Si](C)(C)C(C)(C)C)C1CC(F)CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C31H49FN2O6Si/c1-20(2)25-19-38-29(37)34(25)27(35)23(16-21-14-12-11-13-15-21)26(40-41(9,10)31(6,7)8)24-17-22(32)18-33(24)28(36)39-30(3,4)5/h11-15,20,22-26H,16-19H2,1-10H3
• InChIKey: QDJPDAOBIWRDAV-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.83
LogP ≤ 5	6.59
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 tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate (CID 68815845) is tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate is CC(C)C1COC(=O)N1C(=O)C(Cc1ccccc1)C(O[Si](C)(C)C(C)(C)C)C1CC(F)CN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate?

The InChIKey is QDJPDAOBIWRDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49FN2O6Si/c1-20(2)25-19-38-29(37)34(25)27(35)23(16-21-14-12-11-13-15-21)26(40-41(9,10)31(6,7)8)24-17-22(32)18-33(24)28(36)39-30(3,4)5/h11-15,20,22-26H,16-19H2,1-10H3.

What are the key properties of tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate?

tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate has a molecular weight of 592.83 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 68815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).