4-Acetoxy-2-azetidinone

C₅H₇NO₃CAS 28562-53-0129.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇NO₃
Molar mass: 129.12 g/mol
Exact mass: 129.0426 Da
logP: 0.24Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P403, P405, P501

Identifiers

CAS number

28562-53-0

SMILES

CC(=O)OC1CC(O)=N1

InChIKey

OEYMQQDJCUHKQS-UHFFFAOYSA-N

InChI

InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2-Azetidinone, 4-(acetyloxy)-
2-Azetidinone, 4-hydroxy-, acetate (ester)
4-(Acetyloxy)-2-azetidinone
2-Acetoxyazetidin-4-one
(±)-4-Acetoxy-2-azetidinone
(4-Oxoazetidin-2-yl) acetate

Reactions

Synthesis of a key β-lactam intermediate by a [2 + 2] cycloaddition route: 4-acetoxyazetidin-2-one (2-Azetidinone, 4-(acetyloxy)-)product

Work with 4-Acetoxy-2-azetidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2S)-2-(Acetyloxy)propanoic acid6034-46-440 % similar Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-840 % similar Isopropyl acetate108-21-439 % similar 2,3-Diacetoxybutane1114-92-739 % similar Triacetin102-76-138 % similar Cyclohexyl acetate622-45-738 % similar sec-Butyl acetate105-46-437 % similar (3S)-2,5-Dioxooxolan-3-yl acetate59025-03-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyroglutamic acid149-87-1 Ethyl isocyanatoacetate2949-22-6 (+)-Pyroglutamic acid4042-36-8 2-Acetamidoacrylic acid5429-56-1 Dimethadione695-53-4 L-Pyroglutamic acid98-79-3

Elsewhere

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