tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate

C19H36NO7Si+ — CID 23314930

About tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate

tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate (PubChem CID 23314930) has the molecular formula C19H36NO7Si+ and a molecular weight of 418.58 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate
• PubChem CID: 23314930
• Molecular Formula: C19H36NO7Si+
• Molecular Weight: 418.58 g/mol
• Exact Mass: 418.23
• IUPAC Name: tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate
• SMILES: CC(C)(C)OC(=O)[N+]1([Si](C)(C)C)C(=O)CC[C@H]1[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO
• InChI: InChI=1S/C19H36NO7Si/c1-18(2,3)27-17(24)20(28(6,7)8)12(9-10-14(20)22)15(23)16-13(11-21)25-19(4,5)26-16/h12-13,15-16,21,23H,9-11H2,1-8H3/q+1/t12-,13-,15-,16+,20?/m0/s1
• InChIKey: QHTZBMWPNYFJFN-QIQFWRCQSA-N
• XLogP: 2.14
• TPSA: 102.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.58
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate?

The IUPAC name of tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate (CID 23314930) is tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate.

What is the SMILES notation for tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate?

The canonical SMILES for tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate is CC(C)(C)OC(=O)[N+]1([Si](C)(C)C)C(=O)CC[C@H]1[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO.

What is the InChIKey of tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate?

The InChIKey is QHTZBMWPNYFJFN-QIQFWRCQSA-N. The full InChI is InChI=1S/C19H36NO7Si/c1-18(2,3)27-17(24)20(28(6,7)8)12(9-10-14(20)22)15(23)16-13(11-21)25-19(4,5)26-16/h12-13,15-16,21,23H,9-11H2,1-8H3/q+1/t12-,13-,15-,16+,20?/m0/s1.

What are the key properties of tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate?

tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate has a molecular weight of 418.58 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[(S)-hydroxy-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-1-trimethylsilylpyrrolidin-1-ium-1-carboxylate is sourced from PubChem (CID 23314930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).