(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde

C19H29NO3Si — CID 11068016

IUPAC(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-17(14-21)16-11-12-18(22)20(16)13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3/t16-,17-/m1/s1
InChIKeyUKKCACZJFCCEAR-IAGOWNOFSA-N
MW347.53 g/mol
LogP3.77
Rot. Bonds6

About (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde

(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde (PubChem CID 11068016) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
PubChem CID11068016
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-17(14-21)16-11-12-18(22)20(16)13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3/t16-,17-/m1/s1
InChIKeyUKKCACZJFCCEAR-IAGOWNOFSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 11070292
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2,5-dione
CID 11415931
(2S,3S)-3-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-triethylsilyloxypropanal
CID 11762719
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-methylpyrrolidin-2-one
CID 101212292
(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 101212310
(2R)-2-[(2S)-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 101725178
(4S,5S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidin-2-one
CID 102012892
(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 132600950
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 134863976
(3R,4S,5S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-propylpyrrolidin-2-one
CID 134924419
(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
CID 101170041

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
The IUPAC name of (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde (CID 11068016) is (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde.
What is the SMILES notation for (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
The canonical SMILES for (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde is CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
The InChIKey is UKKCACZJFCCEAR-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-17(14-21)16-11-12-18(22)20(16)13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde?
(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde has a molecular weight of 347.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde is sourced from PubChem (CID 11068016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).