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

C20H31NO3Si — CID 15624111

IUPACbenzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate
SMILESCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO3Si/c1-7-16-17(21(19(16)23)25(5,6)20(2,3)4)13-18(22)24-14-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17-/m1/s1
InChIKeyLLXYPQCUTKKTQY-IAGOWNOFSA-N
MW361.56 g/mol
LogP4.36
Rot. Bonds6

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

benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate (PubChem CID 15624111) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate
PubChem CID15624111
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Namebenzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate
SMILESCC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO3Si/c1-7-16-17(21(19(16)23)25(5,6)20(2,3)4)13-18(22)24-14-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17-/m1/s1
InChIKeyLLXYPQCUTKKTQY-IAGOWNOFSA-N
XLogP4.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.36
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-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate (CID 15624111) is benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate is CC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate?
The InChIKey is LLXYPQCUTKKTQY-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-7-16-17(21(19(16)23)25(5,6)20(2,3)4)13-18(22)24-14-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate?
benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate has a molecular weight of 361.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethyl-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 15624111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).