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

C20H31NO4Si — CID 10992470

IUPACbenzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4Si/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/h7-11,14,16,18H,12-13H2,1-6H3,(H,21,23)/t14-,16-,18-/m1/s1
InChIKeyBUBGHIKQFIIQDG-QGPMSJSTSA-N
MW377.56 g/mol
LogP3.64
Rot. Bonds7

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

benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate (PubChem CID 10992470) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
PubChem CID10992470
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Namebenzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4Si/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/h7-11,14,16,18H,12-13H2,1-6H3,(H,21,23)/t14-,16-,18-/m1/s1
InChIKeyBUBGHIKQFIIQDG-QGPMSJSTSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate (CID 10992470) is benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The InChIKey is BUBGHIKQFIIQDG-QGPMSJSTSA-N. The full InChI is InChI=1S/C20H31NO4Si/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/h7-11,14,16,18H,12-13H2,1-6H3,(H,21,23)/t14-,16-,18-/m1/s1.
What are the key properties of benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate has a molecular weight of 377.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 10992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).