(2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal

C26H45NO4Si2 — CID 11762719

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

(2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal (PubChem CID 11762719) has the molecular formula C26H45NO4Si2 and a molecular weight of 491.82 g/mol. Its IUPAC name is (2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal.

Molecular Properties

• Compound Name: (2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
• PubChem CID: 11762719
• Molecular Formula: C26H45NO4Si2
• Molecular Weight: 491.82 g/mol
• Exact Mass: 491.29
• IUPAC Name: (2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
• SMILES: CC[Si](CC)(CC)O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C26H45NO4Si2/c1-9-33(10-2,11-3)30-23(20-28)25(31-32(7,8)26(4,5)6)22-17-18-24(29)27(22)19-21-15-13-12-14-16-21/h12-16,20,22-23,25H,9-11,17-19H2,1-8H3/t22-,23-,25+/m1/s1
• InChIKey: RUNZBFXGQUJMFP-OYRHQHFDSA-N
• XLogP: 6.16
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.82
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal (CID 11762719) is (2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal.

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

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

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

The InChIKey is RUNZBFXGQUJMFP-OYRHQHFDSA-N. The full InChI is InChI=1S/C26H45NO4Si2/c1-9-33(10-2,11-3)30-23(20-28)25(31-32(7,8)26(4,5)6)22-17-18-24(29)27(22)19-21-15-13-12-14-16-21/h12-16,20,22-23,25H,9-11,17-19H2,1-8H3/t22-,23-,25+/m1/s1.

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

(2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal has a molecular weight of 491.82 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal is sourced from PubChem (CID 11762719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).