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

C19H29NO3Si — CID 14095336

IUPACbenzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate
SMILESC[C@@H](C(=O)OCc1ccccc1)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO3Si/c1-14(18(22)23-13-15-10-8-7-9-11-15)16-12-17(21)20(16)24(5,6)19(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1
InChIKeyOEJGGQVFLMWZJB-ZBFHGGJFSA-N
MW347.53 g/mol
LogP3.97
Rot. Bonds5

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

benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate (PubChem CID 14095336) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate
PubChem CID14095336
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Namebenzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate
SMILESC[C@@H](C(=O)OCc1ccccc1)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO3Si/c1-14(18(22)23-13-15-10-8-7-9-11-15)16-12-17(21)20(16)24(5,6)19(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1
InChIKeyOEJGGQVFLMWZJB-ZBFHGGJFSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate?
The IUPAC name of benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate (CID 14095336) is benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate.
What is the SMILES notation for benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate?
The canonical SMILES for benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate is C[C@@H](C(=O)OCc1ccccc1)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate?
The InChIKey is OEJGGQVFLMWZJB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-14(18(22)23-13-15-10-8-7-9-11-15)16-12-17(21)20(16)24(5,6)19(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1.
What are the key properties of benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate?
benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate has a molecular weight of 347.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]propanoate is sourced from PubChem (CID 14095336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).