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

C21H33NO4Si — CID 11784145

IUPACbenzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-14(20(24)25-13-16-11-9-8-10-12-16)18-17(19(23)22-18)15(2)26-27(6,7)21(3,4)5/h8-12,14-15,17-18H,13H2,1-7H3,(H,22,23)/t14-,15-,17-,18-/m1/s1
InChIKeyIALHZITVANRGAL-JOCBIADPSA-N
MW391.58 g/mol
LogP3.89
Rot. Bonds7

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

benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate (PubChem CID 11784145) has the molecular formula C21H33NO4Si and a molecular weight of 391.58 g/mol. Its IUPAC name is benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
PubChem CID11784145
Molecular FormulaC21H33NO4Si
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Namebenzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C21H33NO4Si/c1-14(20(24)25-13-16-11-9-8-10-12-16)18-17(19(23)22-18)15(2)26-27(6,7)21(3,4)5/h8-12,14-15,17-18H,13H2,1-7H3,(H,22,23)/t14-,15-,17-,18-/m1/s1
InChIKeyIALHZITVANRGAL-JOCBIADPSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.89
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 (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate?
The IUPAC name of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate (CID 11784145) is benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate.
What is the SMILES notation for benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate?
The canonical SMILES for benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate?
The InChIKey is IALHZITVANRGAL-JOCBIADPSA-N. The full InChI is InChI=1S/C21H33NO4Si/c1-14(20(24)25-13-16-11-9-8-10-12-16)18-17(19(23)22-18)15(2)26-27(6,7)21(3,4)5/h8-12,14-15,17-18H,13H2,1-7H3,(H,22,23)/t14-,15-,17-,18-/m1/s1.
What are the key properties of benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate?
benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate has a molecular weight of 391.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate is sourced from PubChem (CID 11784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).