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

C24H43NO6Si — CID 90759807

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

tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate (PubChem CID 90759807) has the molecular formula C24H43NO6Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate
• PubChem CID: 90759807
• Molecular Formula: C24H43NO6Si
• Molecular Weight: 469.70 g/mol
• Exact Mass: 469.29
• IUPAC Name: tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate
• SMILES: CC=C[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1
• InChI: InChI=1S/C24H43NO6Si/c1-12-13-16-14-18(26)25(21(27)30-22(2,3)4)19(16)20(17-15-28-24(8,9)29-17)31-32(10,11)23(5,6)7/h12-13,16-17,19-20H,14-15H2,1-11H3/t16-,17?,19-,20-/m1/s1
• InChIKey: LFQBQPIUVQLEND-KGYQZRGHSA-N
• XLogP: 5.26
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.70
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate (CID 90759807) is tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate.

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

The canonical SMILES for tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate is CC=C[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1.

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

The InChIKey is LFQBQPIUVQLEND-KGYQZRGHSA-N. The full InChI is InChI=1S/C24H43NO6Si/c1-12-13-16-14-18(26)25(21(27)30-22(2,3)4)19(16)20(17-15-28-24(8,9)29-17)31-32(10,11)23(5,6)7/h12-13,16-17,19-20H,14-15H2,1-11H3/t16-,17?,19-,20-/m1/s1.

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

tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate has a molecular weight of 469.70 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,3S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90759807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).