tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate

C24H45NO3Si — CID 122400427

About tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate (PubChem CID 122400427) has the molecular formula C24H45NO3Si and a molecular weight of 423.71 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate
• PubChem CID: 122400427
• Molecular Formula: C24H45NO3Si
• Molecular Weight: 423.71 g/mol
• Exact Mass: 423.32
• IUPAC Name: tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@@H](CCCC2=CCCC2)CC[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H45NO3Si/c1-23(2,3)28-22(26)25-20(15-11-14-19-12-9-10-13-19)16-17-21(25)18-27-29(7,8)24(4,5)6/h12,20-21H,9-11,13-18H2,1-8H3/t20-,21-/m0/s1
• InChIKey: UIPUHDNGRDOSAZ-SFTDATJTSA-N
• XLogP: 7.06
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.71
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate (CID 122400427) is tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CCCC2=CCCC2)CC[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate?

The InChIKey is UIPUHDNGRDOSAZ-SFTDATJTSA-N. The full InChI is InChI=1S/C24H45NO3Si/c1-23(2,3)28-22(26)25-20(15-11-14-19-12-9-10-13-19)16-17-21(25)18-27-29(7,8)24(4,5)6/h12,20-21H,9-11,13-18H2,1-8H3/t20-,21-/m0/s1.

What are the key properties of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate?

tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate has a molecular weight of 423.71 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[3-(cyclopenten-1-yl)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 122400427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).