methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate

C32H41NO5Si — CID 11114317

About methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate

methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate (PubChem CID 11114317) has the molecular formula C32H41NO5Si and a molecular weight of 547.77 g/mol. Its IUPAC name is methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate
• PubChem CID: 11114317
• Molecular Formula: C32H41NO5Si
• Molecular Weight: 547.77 g/mol
• Exact Mass: 547.28
• IUPAC Name: methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate
• SMILES: COC(=O)[C@@](C)(OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)c1ccccc1
• InChI: InChI=1S/C32H41NO5Si/c1-25(2)33(30(35)38-32(6,29(34)36-7)26-17-11-8-12-18-26)23-24-37-39(31(3,4)5,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25H,23-24H2,1-7H3/t32-/m0/s1
• InChIKey: SKLNOPUNWACJPX-YTTGMZPUSA-N
• XLogP: 5.50
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.77
LogP ≤ 5	5.50
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 methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?

The IUPAC name of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate (CID 11114317) is methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate.

What is the SMILES notation for methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?

The canonical SMILES for methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate is COC(=O)[C@@](C)(OC(=O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)c1ccccc1.

What is the InChIKey of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?

The InChIKey is SKLNOPUNWACJPX-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H41NO5Si/c1-25(2)33(30(35)38-32(6,29(34)36-7)26-17-11-8-12-18-26)23-24-37-39(31(3,4)5,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,25H,23-24H2,1-7H3/t32-/m0/s1.

What are the key properties of methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate?

methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate has a molecular weight of 547.77 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propan-2-ylcarbamoyl]oxy-2-phenylpropanoate is sourced from PubChem (CID 11114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).