(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one

C20H33NO3Si — CID 53253787

IUPAC(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H]1NC(=O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-20(2,3)25(4,5)24-13-9-12-17-18(14-19(22)21-17)23-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyYAIAAMHODCFSOC-MSOLQXFVSA-N
MW363.57 g/mol
LogP4.26
Rot. Bonds8

About (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one

(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one (PubChem CID 53253787) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
PubChem CID53253787
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H]1NC(=O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-20(2,3)25(4,5)24-13-9-12-17-18(14-19(22)21-17)23-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,21,22)/t17-,18+/m1/s1
InChIKeyYAIAAMHODCFSOC-MSOLQXFVSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-phenylmethoxypyrrolidin-2-one
CID 122224826
(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
CID 10024507
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-one
CID 102444690
(5R,6S)-5-methyl-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 10923310
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
1-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-4-one
CID 139909546
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl (3S,4R,5R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 46209836

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one (CID 53253787) is (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one is CC(C)(C)[Si](C)(C)OCCC[C@H]1NC(=O)C[C@@H]1OCc1ccccc1.
What is the InChIKey of (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one?
The InChIKey is YAIAAMHODCFSOC-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-20(2,3)25(4,5)24-13-9-12-17-18(14-19(22)21-17)23-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,21,22)/t17-,18+/m1/s1.
What are the key properties of (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one?
(4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one has a molecular weight of 363.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 53253787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).