methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate

C24H33NO4Si — CID 162743744

IUPACmethyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C24H33NO4Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-16-15-28-19-17-22(25-18-19)23(26)27-4/h5-14,19,22,25H,15-18H2,1-4H3/t19-,22-/m1/s1
InChIKeyRJUFYKSPKFATSN-DENIHFKCSA-N
MW427.62 g/mol
LogP2.48
Rot. Bonds8

About methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate

methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate (PubChem CID 162743744) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate
PubChem CID162743744
Molecular FormulaC24H33NO4Si
Molecular Weight427.62 g/mol
Exact Mass427.22
IUPAC Namemethyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1
InChIInChI=1S/C24H33NO4Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-16-15-28-19-17-22(25-18-19)23(26)27-4/h5-14,19,22,25H,15-18H2,1-4H3/t19-,22-/m1/s1
InChIKeyRJUFYKSPKFATSN-DENIHFKCSA-N
XLogP2.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate (CID 162743744) is methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate is COC(=O)[C@H]1C[C@@H](OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1.
What is the InChIKey of methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate?
The InChIKey is RJUFYKSPKFATSN-DENIHFKCSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-16-15-28-19-17-22(25-18-19)23(26)27-4/h5-14,19,22,25H,15-18H2,1-4H3/t19-,22-/m1/s1.
What are the key properties of methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate?
methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate has a molecular weight of 427.62 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]pyrrolidine-2-carboxylate is sourced from PubChem (CID 162743744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).