(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one

C12H25NO3Si — CID 11032609

IUPAC(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one
SMILESCO[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO3Si/c1-8(9-10(14)13-11(9)15-5)16-17(6,7)12(2,3)4/h8-9,11H,1-7H3,(H,13,14)/t8-,9+,11-/m1/s1
InChIKeyWRYGZMZEDYVKSY-WCABBAIRSA-N
MW259.42 g/mol
LogP2.12
Rot. Bonds4

About (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one

(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one (PubChem CID 11032609) has the molecular formula C12H25NO3Si and a molecular weight of 259.42 g/mol. Its IUPAC name is (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one
PubChem CID11032609
Molecular FormulaC12H25NO3Si
Molecular Weight259.42 g/mol
Exact Mass259.16
IUPAC Name(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one
SMILESCO[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO3Si/c1-8(9-10(14)13-11(9)15-5)16-17(6,7)12(2,3)4/h8-9,11H,1-7H3,(H,13,14)/t8-,9+,11-/m1/s1
InChIKeyWRYGZMZEDYVKSY-WCABBAIRSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Azetidon
CID 10935078
(3R,4R)-4-Acetoxy-3-((R)-(tert-butyldimethylsilyloxy)ethyl)-2-azetidinone
CID 13073890
Tebipenem Pivoxil Impurity 15
CID 10968170
3-[1-[[tert-Butyldimethylsilyl]oxy]ethyl]azetidin-2-one
CID 19049954
[(2R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 359397
(3S)-3-[(1R)-1-(t-butyldimethylsilyloxy)ethyl]azetidin-2-one
CID 10130795
[(2R,3R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 11358176
(3R,4R)-3-[(R)-1-tert-butyldimethylsilyloxyethyl]-4-trimethylsilyloxyazetidin-2-one
CID 13654682
(2R,3S)-3-((R)-1-((tert-Butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-yl acetate
CID 4305700
(3R,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy) ethyl]azetidin-2-one
CID 13073892
Tebipenem Pivoxil Impurity 16
CID 53860740
[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
CID 58333713

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one?
The IUPAC name of (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one (CID 11032609) is (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one?
The canonical SMILES for (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one is CO[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one?
The InChIKey is WRYGZMZEDYVKSY-WCABBAIRSA-N. The full InChI is InChI=1S/C12H25NO3Si/c1-8(9-10(14)13-11(9)15-5)16-17(6,7)12(2,3)4/h8-9,11H,1-7H3,(H,13,14)/t8-,9+,11-/m1/s1.
What are the key properties of (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one?
(3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one has a molecular weight of 259.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyazetidin-2-one is sourced from PubChem (CID 11032609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).