(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one

C25H35NO4Si — CID 11236060

IUPAC(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1(O)COCc1ccccc1
InChIInChI=1S/C25H35NO4Si/c1-24(2,3)31(4,5)30-22-16-23(27)26(17-20-12-8-6-9-13-20)25(22,28)19-29-18-21-14-10-7-11-15-21/h6-15,22,28H,16-19H2,1-5H3/t22-,25?/m0/s1
InChIKeyUIIOGLCIZPCCTB-XADRRFQNSA-N
MW441.64 g/mol
LogP4.71
Rot. Bonds8

About (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one

(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one (PubChem CID 11236060) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
PubChem CID11236060
Molecular FormulaC25H35NO4Si
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Name(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1(O)COCc1ccccc1
InChIInChI=1S/C25H35NO4Si/c1-24(2,3)31(4,5)30-22-16-23(27)26(17-20-12-8-6-9-13-20)25(22,28)19-29-18-21-14-10-7-11-15-21/h6-15,22,28H,16-19H2,1-5H3/t22-,25?/m0/s1
InChIKeyUIIOGLCIZPCCTB-XADRRFQNSA-N
XLogP4.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254
tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 117070284
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
benzyl (1S,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-5-oxocyclohexane-1-carboxylate
CID 10052008
(3S)-1-benzyl-5-butyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypyrrolidin-2-one
CID 101212293
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809
benzyl (1R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
CID 10436387
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(oxomethylidene)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
CID 176541833
1-O-benzyl 2-O-methyl (2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylpyrrolidine-1,2-dicarboxylate
CID 169225497
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one (CID 11236060) is (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N(Cc2ccccc2)C1(O)COCc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one?
The InChIKey is UIIOGLCIZPCCTB-XADRRFQNSA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-24(2,3)31(4,5)30-22-16-23(27)26(17-20-12-8-6-9-13-20)25(22,28)19-29-18-21-14-10-7-11-15-21/h6-15,22,28H,16-19H2,1-5H3/t22-,25?/m0/s1.
What are the key properties of (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one?
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one has a molecular weight of 441.64 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 11236060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).