tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate

C33H63NO9Si2 — CID 11714492

About tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate

tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate (PubChem CID 11714492) has the molecular formula C33H63NO9Si2 and a molecular weight of 674.04 g/mol. Its IUPAC name is tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate
• PubChem CID: 11714492
• Molecular Formula: C33H63NO9Si2
• Molecular Weight: 674.04 g/mol
• Exact Mass: 673.40
• IUPAC Name: tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C(=O)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H]2COC(C)(C)O2)C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
• InChI: InChI=1S/C33H63NO9Si2/c1-29(2,3)41-28(36)34-22(26(24-20-38-33(12,13)40-24)43-45(16,17)31(7,8)9)18-21(27(34)35)25(23-19-37-32(10,11)39-23)42-44(14,15)30(4,5)6/h21-26H,18-20H2,1-17H3/t21-,22+,23+,24+,25-,26-/m0/s1
• InChIKey: XDFYERJXFFMAHG-NJPATFAWSA-N
• XLogP: 7.22
• TPSA: 101.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.04
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate (CID 11714492) is tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H]2COC(C)(C)O2)C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.

What is the InChIKey of tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

The InChIKey is XDFYERJXFFMAHG-NJPATFAWSA-N. The full InChI is InChI=1S/C33H63NO9Si2/c1-29(2,3)41-28(36)34-22(26(24-20-38-33(12,13)40-24)43-45(16,17)31(7,8)9)18-21(27(34)35)25(23-19-37-32(10,11)39-23)42-44(14,15)30(4,5)6/h21-26H,18-20H2,1-17H3/t21-,22+,23+,24+,25-,26-/m0/s1.

What are the key properties of tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate?

tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate has a molecular weight of 674.04 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11714492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).