1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate

C24H43NO8Si — CID 134939056

About 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate (PubChem CID 134939056) has the molecular formula C24H43NO8Si and a molecular weight of 501.69 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

• Compound Name: 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
• PubChem CID: 134939056
• Molecular Formula: C24H43NO8Si
• Molecular Weight: 501.69 g/mol
• Exact Mass: 501.28
• IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
• SMILES: CCOC(=O)[C@@]1([C@@H](OC(C)=O)C(C)C)[C@@H](O[Si](CC)(CC)CC)CC(=O)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H43NO8Si/c1-11-30-21(28)24(20(16(5)6)31-17(7)26)18(33-34(12-2,13-3)14-4)15-19(27)25(24)22(29)32-23(8,9)10/h16,18,20H,11-15H2,1-10H3/t18-,20-,24-/m0/s1
• InChIKey: MHDJBERNYQCOHK-WXVUKLJWSA-N
• XLogP: 4.43
• TPSA: 108.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.69
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?

The IUPAC name of 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate (CID 134939056) is 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate.

What is the SMILES notation for 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?

The canonical SMILES for 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate is CCOC(=O)[C@@]1([C@@H](OC(C)=O)C(C)C)[C@@H](O[Si](CC)(CC)CC)CC(=O)N1C(=O)OC(C)(C)C.

What is the InChIKey of 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?

The InChIKey is MHDJBERNYQCOHK-WXVUKLJWSA-N. The full InChI is InChI=1S/C24H43NO8Si/c1-11-30-21(28)24(20(16(5)6)31-17(7)26)18(33-34(12-2,13-3)14-4)15-19(27)25(24)22(29)32-23(8,9)10/h16,18,20H,11-15H2,1-10H3/t18-,20-,24-/m0/s1.

What are the key properties of 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate?

1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate has a molecular weight of 501.69 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 134939056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).