(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

C17H32NO5Si- — CID 86662914

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate (PubChem CID 86662914) has the molecular formula C17H32NO5Si- and a molecular weight of 358.53 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
• PubChem CID: 86662914
• Molecular Formula: C17H32NO5Si-
• Molecular Weight: 358.53 g/mol
• Exact Mass: 358.21
• IUPAC Name: (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C(=O)[O-]
• InChI: InChI=1S/C17H33NO5Si/c1-15(2,3)22-14(21)18-11-10-12(17(18,7)13(19)20)23-24(8,9)16(4,5)6/h12H,10-11H2,1-9H3,(H,19,20)/p-1/t12-,17-/m0/s1
• InChIKey: VEXAVZAXAQPBJC-SJCJKPOMSA-M
• XLogP: 2.53
• TPSA: 78.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.53
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate?

The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate (CID 86662914) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate?

The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C(=O)[O-].

What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate?

The InChIKey is VEXAVZAXAQPBJC-SJCJKPOMSA-M. The full InChI is InChI=1S/C17H33NO5Si/c1-15(2,3)22-14(21)18-11-10-12(17(18,7)13(19)20)23-24(8,9)16(4,5)6/h12H,10-11H2,1-9H3,(H,19,20)/p-1/t12-,17-/m0/s1.

What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate?

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate has a molecular weight of 358.53 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 86662914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).