benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate

C25H37NO7Si — CID 59248969

IUPACbenzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate
SMILESCC(=O)OCC(=O)C(C)(C(=O)OCc1ccccc1)C1NC(=O)C1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H37NO7Si/c1-16(33-34(7,8)24(3,4)5)20-21(26-22(20)29)25(6,19(28)15-31-17(2)27)23(30)32-14-18-12-10-9-11-13-18/h9-13,16,20-21H,14-15H2,1-8H3,(H,26,29)/t16-,20?,21?,25?/m1/s1
InChIKeyFYQPQAXYHLWHPA-AECCHWAESA-N
MW491.66 g/mol
LogP3.39
Rot. Bonds10

About benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate

benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate (PubChem CID 59248969) has the molecular formula C25H37NO7Si and a molecular weight of 491.66 g/mol. Its IUPAC name is benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate.

Molecular Properties

Compound Namebenzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate
PubChem CID59248969
Molecular FormulaC25H37NO7Si
Molecular Weight491.66 g/mol
Exact Mass491.23
IUPAC Namebenzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate
SMILESCC(=O)OCC(=O)C(C)(C(=O)OCc1ccccc1)C1NC(=O)C1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H37NO7Si/c1-16(33-34(7,8)24(3,4)5)20-21(26-22(20)29)25(6,19(28)15-31-17(2)27)23(30)32-14-18-12-10-9-11-13-18/h9-13,16,20-21H,14-15H2,1-8H3,(H,26,29)/t16-,20?,21?,25?/m1/s1
InChIKeyFYQPQAXYHLWHPA-AECCHWAESA-N
XLogP3.39
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-4-[(1R)-1-benzyloxycarbonylethyl]azetidin-2-one
CID 11784145
benzyl (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 13504336
[3-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxocyclohexyl] benzoate
CID 139265819
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 10992470
Benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 13018172
benzyl 2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 13504334
benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 13504340
benzyl [(1R)-1-[(2R,3S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 13960422
Benzyl 2-methyl-3-oxo-2-(4-oxoazetidin-2-yl)butanoate
CID 17889136
(3S,4S)-4-(1-ethoxycarbonylethyl)-3-(1-(R)-benzyloxycarbonyloxyethyl)-2-azetidinone
CID 22841887
benzyl 2-[tert-butyl(dimethyl)silyl]-2-[(2S,3S)-3-(2-hydroxypropan-2-yl)-4-oxoazetidin-2-yl]acetate
CID 57109821
benzyl (2R)-2-[(2S,3S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 57131736

Frequently Asked Questions

What is the IUPAC name of benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate?
The IUPAC name of benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate (CID 59248969) is benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate.
What is the SMILES notation for benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate?
The canonical SMILES for benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate is CC(=O)OCC(=O)C(C)(C(=O)OCc1ccccc1)C1NC(=O)C1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate?
The InChIKey is FYQPQAXYHLWHPA-AECCHWAESA-N. The full InChI is InChI=1S/C25H37NO7Si/c1-16(33-34(7,8)24(3,4)5)20-21(26-22(20)29)25(6,19(28)15-31-17(2)27)23(30)32-14-18-12-10-9-11-13-18/h9-13,16,20-21H,14-15H2,1-8H3,(H,26,29)/t16-,20?,21?,25?/m1/s1.
What are the key properties of benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate?
benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate has a molecular weight of 491.66 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-acetyloxy-2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-methyl-3-oxobutanoate is sourced from PubChem (CID 59248969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).