(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one

C13H27NO2Si — CID 15895657

IUPAC(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1CC(C)C
InChIInChI=1S/C13H27NO2Si/c1-6-17(7-2,8-3)16-12-11(9-10(4)5)14-13(12)15/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyZJDBLWQKTZWIDR-NWDGAFQWSA-N
MW257.45 g/mol
LogP2.92
Rot. Bonds7

About (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one

(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one (PubChem CID 15895657) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one
PubChem CID15895657
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1CC(C)C
InChIInChI=1S/C13H27NO2Si/c1-6-17(7-2,8-3)16-12-11(9-10(4)5)14-13(12)15/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyZJDBLWQKTZWIDR-NWDGAFQWSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one
CID 155329818
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
propan-2-yl (2S,3R)-2-cyclohexyl-4-oxo-3-triethylsilyloxyazetidine-1-carboxylate
CID 54385763
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 57400085
(3S,6R)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 162908531
(3S,6S)-3-butan-2-yl-6-(2-methylpropyl)piperazine-2,5-dione
CID 15226952
4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66108525
(3S,6R)-3-(2-methylpropyl)-6-pentylpiperazine-2,5-dione
CID 157372479
(3S,6R,9S,12S,15R,18S)-3,6,12-tris[(2S)-butan-2-yl]-9,15,18-tris(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 146035611
(3S,5R,6S)-3-benzyl-6-(2-methylpropyl)-5-propan-2-ylpiperazin-2-one
CID 102134638

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one (CID 15895657) is (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one is CC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1CC(C)C.
What is the InChIKey of (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one?
The InChIKey is ZJDBLWQKTZWIDR-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-6-17(7-2,8-3)16-12-11(9-10(4)5)14-13(12)15/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one?
(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one has a molecular weight of 257.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one is sourced from PubChem (CID 15895657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).