[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate

C11H9Cl2NO3 — CID 131857484

IUPAC[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate
SMILESO=C(O[C@H]1C(=O)N[C@H]1c1ccccc1)C(Cl)Cl
InChIInChI=1S/C11H9Cl2NO3/c12-9(13)11(16)17-8-7(14-10(8)15)6-4-2-1-3-5-6/h1-5,7-9H,(H,14,15)/t7-,8+/m0/s1
InChIKeyFUTIVKKRYMXQPI-JGVFFNPUSA-N
MW274.10 g/mol
LogP1.57
Rot. Bonds3

About [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate

[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate (PubChem CID 131857484) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate.

Molecular Properties

Compound Name[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate
PubChem CID131857484
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate
SMILESO=C(O[C@H]1C(=O)N[C@H]1c1ccccc1)C(Cl)Cl
InChIInChI=1S/C11H9Cl2NO3/c12-9(13)11(16)17-8-7(14-10(8)15)6-4-2-1-3-5-6/h1-5,7-9H,(H,14,15)/t7-,8+/m0/s1
InChIKeyFUTIVKKRYMXQPI-JGVFFNPUSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-3-(2-phenylethoxy)azetidin-2-one
CID 22073347
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
(3S,4S)-3-fluoro-4-phenylazetidin-2-one
CID 101430981
(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol
CID 91515506
(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate
CID 158116007
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
[(2R,3S)-2-(4-cyanophenyl)-4-oxoazetidin-3-yl] acetate
CID 122372048
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
(4-oxo-3-phenylazetidin-2-yl) acetate
CID 18318993

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate?
The IUPAC name of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate (CID 131857484) is [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate.
What is the SMILES notation for [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate?
The canonical SMILES for [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate is O=C(O[C@H]1C(=O)N[C@H]1c1ccccc1)C(Cl)Cl.
What is the InChIKey of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate?
The InChIKey is FUTIVKKRYMXQPI-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c12-9(13)11(16)17-8-7(14-10(8)15)6-4-2-1-3-5-6/h1-5,7-9H,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate?
[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate has a molecular weight of 274.10 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate is sourced from PubChem (CID 131857484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).