tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate

C22H44N2O4Si — CID 139743879

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate (PubChem CID 139743879) has the molecular formula C22H44N2O4Si and a molecular weight of 428.69 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate
• PubChem CID: 139743879
• Molecular Formula: C22H44N2O4Si
• Molecular Weight: 428.69 g/mol
• Exact Mass: 428.31
• IUPAC Name: tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H]1CCN(C(C)(C)C)O1
• InChI: InChI=1S/C22H44N2O4Si/c1-20(2,3)24-13-12-18(27-24)17-14-16(28-29(10,11)22(7,8)9)15-23(17)19(25)26-21(4,5)6/h16-18H,12-15H2,1-11H3/t16-,17+,18-/m1/s1
• InChIKey: HSIRJONCNRYWNV-FGTMMUONSA-N
• XLogP: 5.19
• TPSA: 51.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.69
LogP ≤ 5	5.19
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 tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate (CID 139743879) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H]1CCN(C(C)(C)C)O1.

What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?

The InChIKey is HSIRJONCNRYWNV-FGTMMUONSA-N. The full InChI is InChI=1S/C22H44N2O4Si/c1-20(2,3)24-13-12-18(27-24)17-14-16(28-29(10,11)22(7,8)9)15-23(17)19(25)26-21(4,5)6/h16-18H,12-15H2,1-11H3/t16-,17+,18-/m1/s1.

What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 428.69 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-tert-butyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 139743879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).