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

C14H27NO4Si — CID 14395942

IUPACmethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-9(19-20(6,7)14(2,3)4)12-10(15-13(12)17)8-11(16)18-5/h9-10,12H,8H2,1-7H3,(H,15,17)/t9-,10-,12-/m1/s1
InChIKeyAOMZYHXUFSLVAZ-CKYFFXLPSA-N
MW301.46 g/mol
LogP2.07
Rot. Bonds5

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

methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate (PubChem CID 14395942) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
PubChem CID14395942
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Namemethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-9(19-20(6,7)14(2,3)4)12-10(15-13(12)17)8-11(16)18-5/h9-10,12H,8H2,1-7H3,(H,15,17)/t9-,10-,12-/m1/s1
InChIKeyAOMZYHXUFSLVAZ-CKYFFXLPSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.07
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 methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate (CID 14395942) is methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate is COC(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The InChIKey is AOMZYHXUFSLVAZ-CKYFFXLPSA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-9(19-20(6,7)14(2,3)4)12-10(15-13(12)17)8-11(16)18-5/h9-10,12H,8H2,1-7H3,(H,15,17)/t9-,10-,12-/m1/s1.
What are the key properties of methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate has a molecular weight of 301.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 14395942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).