(3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one

C22H35NO4Si — CID 132918946

IUPAC(3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one
SMILESCC(=O)C[C@H]1C[C@H](OCc2ccccc2)C(=O)N1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-17(24)14-19-15-20(26-16-18-10-8-7-9-11-18)21(25)23(19)12-13-27-28(5,6)22(2,3)4/h7-11,19-20H,12-16H2,1-6H3/t19-,20-/m0/s1
InChIKeyALDRHGOSTRQRRA-PMACEKPBSA-N
MW405.61 g/mol
LogP4.17
Rot. Bonds9

About (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one

(3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one (PubChem CID 132918946) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one
PubChem CID132918946
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Name(3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one
SMILESCC(=O)C[C@H]1C[C@H](OCc2ccccc2)C(=O)N1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-17(24)14-19-15-20(26-16-18-10-8-7-9-11-18)21(25)23(19)12-13-27-28(5,6)22(2,3)4/h7-11,19-20H,12-16H2,1-6H3/t19-,20-/m0/s1
InChIKeyALDRHGOSTRQRRA-PMACEKPBSA-N
XLogP4.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 11096870
(4R)-1-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-phenylmethoxypyrrolidin-2-one
CID 57332182
(2R,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyhexan-1-one
CID 101520607
(s)-1-Benzyloxycarbonyl-3-(t-butyldimethylsilyloxy)-2-pyrrolidinone
CID 129822840
1-Bromo-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-one
CID 132918948
benzyl (2S)-1-[7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2,3-dioxooctanoyl]pyrrolidine-2-carboxylate
CID 134917530
7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-1-[(2S)-2-(phenylmethoxymethyl)piperidin-1-yl]octane-1,2,3-trione
CID 134917824
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(2R)-2-phenylmethoxypropanoyl]piperidin-2-one
CID 134941892
tert-butyl (2S)-2-[(3R,4R)-5-oxo-4-phenylmethoxy-5-trimethylsilyloxypent-1-en-3-yl]pyrrolidine-1-carboxylate
CID 135011958
1-Butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-one
CID 162415172
(3S,5S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one
CID 162415175
[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-(3-phenyloxiran-2-yl)methanone
CID 162416171

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one (CID 132918946) is (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one is CC(=O)C[C@H]1C[C@H](OCc2ccccc2)C(=O)N1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one?
The InChIKey is ALDRHGOSTRQRRA-PMACEKPBSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-17(24)14-19-15-20(26-16-18-10-8-7-9-11-18)21(25)23(19)12-13-27-28(5,6)22(2,3)4/h7-11,19-20H,12-16H2,1-6H3/t19-,20-/m0/s1.
What are the key properties of (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one?
(3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one has a molecular weight of 405.61 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-oxopropyl)-3-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 132918946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).