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

C18H27NO3Si — CID 14095334

IUPACbenzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO3Si/c1-18(2,3)23(4,5)19-15(11-16(19)20)12-17(21)22-13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyXAGRMSQMQNGOAI-HNNXBMFYSA-N
MW333.50 g/mol
LogP3.73
Rot. Bonds5

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

benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate (PubChem CID 14095334) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate
PubChem CID14095334
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Namebenzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO3Si/c1-18(2,3)23(4,5)19-15(11-16(19)20)12-17(21)22-13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyXAGRMSQMQNGOAI-HNNXBMFYSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.73
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 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate (CID 14095334) is benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate is CC(C)(C)[Si](C)(C)N1C(=O)C[C@H]1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate?
The InChIKey is XAGRMSQMQNGOAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-18(2,3)23(4,5)19-15(11-16(19)20)12-17(21)22-13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1.
What are the key properties of benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate?
benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate has a molecular weight of 333.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 14095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).