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

C18H33NO6Si — CID 56648711

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

methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate (PubChem CID 56648711) has the molecular formula C18H33NO6Si and a molecular weight of 387.55 g/mol. Its IUPAC name is methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate
• PubChem CID: 56648711
• Molecular Formula: C18H33NO6Si
• Molecular Weight: 387.55 g/mol
• Exact Mass: 387.21
• IUPAC Name: methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate
• SMILES: COC(=O)[C@]1([C@@H](OC(C)=O)C(C)C)NC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C18H33NO6Si/c1-11(2)15(24-12(3)20)18(16(22)23-7)13(10-14(21)19-18)25-26(8,9)17(4,5)6/h11,13,15H,10H2,1-9H3,(H,19,21)/t13-,15-,18-/m0/s1
• InChIKey: GPGRCJYGFFBQAM-YEWWUXTCSA-N
• XLogP: 2.40
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate (CID 56648711) is methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate.

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

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

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

The InChIKey is GPGRCJYGFFBQAM-YEWWUXTCSA-N. The full InChI is InChI=1S/C18H33NO6Si/c1-11(2)15(24-12(3)20)18(16(22)23-7)13(10-14(21)19-18)25-26(8,9)17(4,5)6/h11,13,15H,10H2,1-9H3,(H,19,21)/t13-,15-,18-/m0/s1.

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

methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate has a molecular weight of 387.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 56648711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).