(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one

C21H27NO3Si — CID 11003169

IUPAC(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-18-19(23)14-20(24)22-18/h4-13,18-19,23H,14-15H2,1-3H3,(H,22,24)/t18-,19+/m1/s1
InChIKeyFOAUTOONVKEMBN-MOPGFXCFSA-N
MW369.54 g/mol
LogP1.81
Rot. Bonds5

About (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one

(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 11003169) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
PubChem CID11003169
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@H]1NC(=O)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-18-19(23)14-20(24)22-18/h4-13,18-19,23H,14-15H2,1-3H3,(H,22,24)/t18-,19+/m1/s1
InChIKeyFOAUTOONVKEMBN-MOPGFXCFSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(3R,4R)-3-fluoro-4-[hydroxy(diphenyl)silyl]oxy-5-(methoxymethyl)-3-methylpyrrolidin-2-one
CID 163935108
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(E,1R)-1-hydroxybut-2-enyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10495893
(3R,4S,5R)-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 10851289
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
(3r)-3-[t-Butyl(diphenyl)silyloxy]-5-hydroxy-4,4-dimethylpyrrolidin-2-one
CID 129758526
(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one
CID 135013759
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
(4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-one
CID 16742491
N-[1-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2-hydroxybutyl]Heptanamide
CID 54199636
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57070793

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one (CID 11003169) is (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one is CC(C)(C)[Si](OC[C@H]1NC(=O)C[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is FOAUTOONVKEMBN-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-18-19(23)14-20(24)22-18/h4-13,18-19,23H,14-15H2,1-3H3,(H,22,24)/t18-,19+/m1/s1.
What are the key properties of (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one?
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 369.54 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 11003169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).