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

C15H27NO5Si — CID 134811634

IUPACmethyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate
SMILESCOC(=O)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27NO5Si/c1-9(21-22(6,7)15(2,3)4)12-10(16-13(12)18)8-11(17)14(19)20-5/h9-10,12H,8H2,1-7H3,(H,16,18)/t9-,10-,12-/m1/s1
InChIKeyXGJBSWJPAAFUIS-CKYFFXLPSA-N
MW329.47 g/mol
LogP1.64
Rot. Bonds6

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

methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate (PubChem CID 134811634) has the molecular formula C15H27NO5Si and a molecular weight of 329.47 g/mol. Its IUPAC name is methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate
PubChem CID134811634
Molecular FormulaC15H27NO5Si
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Namemethyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate
SMILESCOC(=O)C(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27NO5Si/c1-9(21-22(6,7)15(2,3)4)12-10(16-13(12)18)8-11(17)14(19)20-5/h9-10,12H,8H2,1-7H3,(H,16,18)/t9-,10-,12-/m1/s1
InChIKeyXGJBSWJPAAFUIS-CKYFFXLPSA-N
XLogP1.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate?
The IUPAC name of methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate (CID 134811634) is methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate.
What is the SMILES notation for methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate?
The canonical SMILES for methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate is COC(=O)C(=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 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate?
The InChIKey is XGJBSWJPAAFUIS-CKYFFXLPSA-N. The full InChI is InChI=1S/C15H27NO5Si/c1-9(21-22(6,7)15(2,3)4)12-10(16-13(12)18)8-11(17)14(19)20-5/h9-10,12H,8H2,1-7H3,(H,16,18)/t9-,10-,12-/m1/s1.
What are the key properties of methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate?
methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate has a molecular weight of 329.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-oxopropanoate is sourced from PubChem (CID 134811634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).