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

C22H35NO4Si — CID 135019762

IUPACtert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@@H](c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-21(2,3)27-20(25)23-18(15-26-28(7,8)22(4,5)6)17(14-19(23)24)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
InChIKeyYGXAUASURMTILY-ZWKOTPCHSA-N
MW405.61 g/mol
LogP5.33
Rot. Bonds4

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

tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate (PubChem CID 135019762) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
PubChem CID135019762
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Nametert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@@H](c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-21(2,3)27-20(25)23-18(15-26-28(7,8)22(4,5)6)17(14-19(23)24)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
InChIKeyYGXAUASURMTILY-ZWKOTPCHSA-N
XLogP5.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.33
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 (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate (CID 135019762) is tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@@H](c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
The InChIKey is YGXAUASURMTILY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-21(2,3)27-20(25)23-18(15-26-28(7,8)22(4,5)6)17(14-19(23)24)16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate has a molecular weight of 405.61 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-3-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 135019762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).