benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate

C20H29NO4Si — CID 11632207

IUPACbenzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO4Si/c1-14(25-26(5,6)20(2,3)4)18-16(21-19(18)23)12-17(22)24-13-15-10-8-7-9-11-15/h7-12,14,18H,13H2,1-6H3,(H,21,23)/b16-12-/t14-,18-/m1/s1
InChIKeyCOCMXHGKPIHRBM-DEKNZBOESA-N
MW375.54 g/mol
LogP3.77
Rot. Bonds6

About benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate

benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate (PubChem CID 11632207) has the molecular formula C20H29NO4Si and a molecular weight of 375.54 g/mol. Its IUPAC name is benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate.

Molecular Properties

Compound Namebenzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
PubChem CID11632207
Molecular FormulaC20H29NO4Si
Molecular Weight375.54 g/mol
Exact Mass375.19
IUPAC Namebenzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO4Si/c1-14(25-26(5,6)20(2,3)4)18-16(21-19(18)23)12-17(22)24-13-15-10-8-7-9-11-15/h7-12,14,18H,13H2,1-6H3,(H,21,23)/b16-12-/t14-,18-/m1/s1
InChIKeyCOCMXHGKPIHRBM-DEKNZBOESA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-[(2Z,3S)-2-(2-ethoxy-2-oxoethylidene)-4-oxoazetidin-3-yl]ethyl] benzoate
CID 11688072
benzyl (2E)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
CID 11689335
[3,5-bis(trifluoromethyl)phenyl]methyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate
CID 11699146
benzyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 134884035
(2r,3r)-3-((r)-1-(Tert-butyldimethylsilyloxy)ethyl)-4-oxoazetidin-2-yl benzoate
CID 11783054
[3-[1-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 14658838
[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 14658839
(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylmethoxyazetidin-2-one
CID 14984776
[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 54518141
[(2S,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 57001249
[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 67789136
[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] benzoate
CID 67862303

Frequently Asked Questions

What is the IUPAC name of benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate?
The IUPAC name of benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate (CID 11632207) is benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate.
What is the SMILES notation for benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate?
The canonical SMILES for benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate?
The InChIKey is COCMXHGKPIHRBM-DEKNZBOESA-N. The full InChI is InChI=1S/C20H29NO4Si/c1-14(25-26(5,6)20(2,3)4)18-16(21-19(18)23)12-17(22)24-13-15-10-8-7-9-11-15/h7-12,14,18H,13H2,1-6H3,(H,21,23)/b16-12-/t14-,18-/m1/s1.
What are the key properties of benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate?
benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate has a molecular weight of 375.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2Z)-2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-ylidene]acetate is sourced from PubChem (CID 11632207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).