2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate

C24H38N2O6SSi2 — CID 10951633

About 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate

2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate (PubChem CID 10951633) has the molecular formula C24H38N2O6SSi2 and a molecular weight of 538.82 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate
• PubChem CID: 10951633
• Molecular Formula: C24H38N2O6SSi2
• Molecular Weight: 538.82 g/mol
• Exact Mass: 538.20
• IUPAC Name: 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate
• SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)OCC[Si](C)(C)C)[C@@H]1SC(=O)c1ccncc1
• InChI: InChI=1S/C24H38N2O6SSi2/c1-16(32-35(8,9)24(2,3)4)18-19(27)26(20(28)22(29)31-14-15-34(5,6)7)21(18)33-23(30)17-10-12-25-13-11-17/h10-13,16,18,21H,14-15H2,1-9H3/t16-,18+,21-/m1/s1
• InChIKey: YDKUENGYPQVQAC-PLMTUMEDSA-N
• XLogP: 4.56
• TPSA: 102.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.82
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate?

The IUPAC name of 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate (CID 10951633) is 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate.

What is the SMILES notation for 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate?

The canonical SMILES for 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)OCC[Si](C)(C)C)[C@@H]1SC(=O)c1ccncc1.

What is the InChIKey of 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate?

The InChIKey is YDKUENGYPQVQAC-PLMTUMEDSA-N. The full InChI is InChI=1S/C24H38N2O6SSi2/c1-16(32-35(8,9)24(2,3)4)18-19(27)26(20(28)22(29)31-14-15-34(5,6)7)21(18)33-23(30)17-10-12-25-13-11-17/h10-13,16,18,21H,14-15H2,1-9H3/t16-,18+,21-/m1/s1.

What are the key properties of 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate?

2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate has a molecular weight of 538.82 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-(pyridine-4-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 10951633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).