1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

C23H41NO8Si — CID 56647142

About 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 56647142) has the molecular formula C23H41NO8Si and a molecular weight of 487.67 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

• Compound Name: 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
• PubChem CID: 56647142
• Molecular Formula: C23H41NO8Si
• Molecular Weight: 487.67 g/mol
• Exact Mass: 487.26
• IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
• SMILES: COC(=O)[C@@]1([C@@H](OC(C)=O)C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C23H41NO8Si/c1-14(2)18(30-15(3)25)23(19(27)29-10)16(32-33(11,12)22(7,8)9)13-17(26)24(23)20(28)31-21(4,5)6/h14,16,18H,13H2,1-12H3/t16-,18-,23-/m0/s1
• InChIKey: FVSVIEGDQITOJR-CEXJFXJFSA-N
• XLogP: 4.04
• TPSA: 108.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.67
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?

The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate (CID 56647142) is 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate.

What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?

The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@@]1([C@@H](OC(C)=O)C(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)N1C(=O)OC(C)(C)C.

What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?

The InChIKey is FVSVIEGDQITOJR-CEXJFXJFSA-N. The full InChI is InChI=1S/C23H41NO8Si/c1-14(2)18(30-15(3)25)23(19(27)29-10)16(32-33(11,12)22(7,8)9)13-17(26)24(23)20(28)31-21(4,5)6/h14,16,18H,13H2,1-12H3/t16-,18-,23-/m0/s1.

What are the key properties of 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate?

1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 487.67 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-tert-butyl 2-O-methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 56647142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).