tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate

C22H35NO4SeSi — CID 13195232

IUPACtert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C([Se]c2ccccc2)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4SeSi/c1-21(2,3)27-20(25)23-16(15-26-29(7,8)22(4,5)6)14-18(19(23)24)28-17-12-10-9-11-13-17/h9-13,16,18H,14-15H2,1-8H3/t16-,18?/m0/s1
InChIKeyPOTOUOMZZPDAQZ-ATNAJCNCSA-N
MW484.57 g/mol
LogP4.36
Rot. Bonds5

About tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate

tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate (PubChem CID 13195232) has the molecular formula C22H35NO4SeSi and a molecular weight of 484.57 g/mol. Its IUPAC name is tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate
PubChem CID13195232
Molecular FormulaC22H35NO4SeSi
Molecular Weight484.57 g/mol
Exact Mass485.15
IUPAC Nametert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C([Se]c2ccccc2)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4SeSi/c1-21(2,3)27-20(25)23-16(15-26-29(7,8)22(4,5)6)14-18(19(23)24)28-17-12-10-9-11-13-17/h9-13,16,18H,14-15H2,1-8H3/t16-,18?/m0/s1
InChIKeyPOTOUOMZZPDAQZ-ATNAJCNCSA-N
XLogP4.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate (CID 13195232) is tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C([Se]c2ccccc2)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate?
The InChIKey is POTOUOMZZPDAQZ-ATNAJCNCSA-N. The full InChI is InChI=1S/C22H35NO4SeSi/c1-21(2,3)27-20(25)23-16(15-26-29(7,8)22(4,5)6)14-18(19(23)24)28-17-12-10-9-11-13-17/h9-13,16,18H,14-15H2,1-8H3/t16-,18?/m0/s1.
What are the key properties of tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate?
tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate has a molecular weight of 484.57 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-phenylselanylpyrrolidine-1-carboxylate is sourced from PubChem (CID 13195232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).