[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate

C19H37NO4Si — CID 71728262

IUPAC[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate
SMILESCCCC[Si](CCCC)(CCCC)OC(C)[C@H]1C(=O)N[C@@H]1OC(C)=O
InChIInChI=1S/C19H37NO4Si/c1-6-9-12-25(13-10-7-2,14-11-8-3)24-15(4)17-18(22)20-19(17)23-16(5)21/h15,17,19H,6-14H2,1-5H3,(H,20,22)/t15?,17-,19+/m0/s1
InChIKeyIGCFGKKRCYNOKY-IYSUZNMVSA-N
MW371.59 g/mol
LogP4.37
Rot. Bonds13

About [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate

[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate (PubChem CID 71728262) has the molecular formula C19H37NO4Si and a molecular weight of 371.59 g/mol. Its IUPAC name is [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate
PubChem CID71728262
Molecular FormulaC19H37NO4Si
Molecular Weight371.59 g/mol
Exact Mass371.25
IUPAC Name[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate
SMILESCCCC[Si](CCCC)(CCCC)OC(C)[C@H]1C(=O)N[C@@H]1OC(C)=O
InChIInChI=1S/C19H37NO4Si/c1-6-9-12-25(13-10-7-2,14-11-8-3)24-15(4)17-18(22)20-19(17)23-16(5)21/h15,17,19H,6-14H2,1-5H3,(H,20,22)/t15?,17-,19+/m0/s1
InChIKeyIGCFGKKRCYNOKY-IYSUZNMVSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Azetidon
CID 10935078
(3R,4R)-4-Acetoxy-3-((R)-(tert-butyldimethylsilyloxy)ethyl)-2-azetidinone
CID 13073890
Tebipenem Pivoxil Impurity 15
CID 10968170
[(2R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 359397
(3R,4R)-3-[(1R)-1-{[tert-Butyl(dimethyl)silyl]-oxy}ethyl]-4-methoxyazetidin-2-one
CID 11032609
[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 11358176
(3R,4R)-3-[(1R)-1-t-Butyldimethylsilyloxyethyl]-4-acetoxy-1-trimethylsilyl-2-azetidinone
CID 11792833
(3R,4R)-3-[(R)-1-tert-butyldimethylsilyloxyethyl]-4-trimethylsilyloxyazetidin-2-one
CID 13654682
(2R,3S)-3-((R)-1-((tert-Butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-yl acetate
CID 4305700
(3R,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy) ethyl]azetidin-2-one
CID 13073892
Tebipenem Pivoxil Impurity 16
CID 53860740
[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
CID 58333713

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate (CID 71728262) is [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate is CCCC[Si](CCCC)(CCCC)OC(C)[C@H]1C(=O)N[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate?
The InChIKey is IGCFGKKRCYNOKY-IYSUZNMVSA-N. The full InChI is InChI=1S/C19H37NO4Si/c1-6-9-12-25(13-10-7-2,14-11-8-3)24-15(4)17-18(22)20-19(17)23-16(5)21/h15,17,19H,6-14H2,1-5H3,(H,20,22)/t15?,17-,19+/m0/s1.
What are the key properties of [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate?
[(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate has a molecular weight of 371.59 g/mol, XLogP of 4.37, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-oxo-3-(1-tributylsilyloxyethyl)azetidin-2-yl] acetate is sourced from PubChem (CID 71728262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).