chempirical

1,1-Dimethylethyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylate

C18H25NO5CAS 201856-57-7335.40 g/mol

Open in Covalent MOL file
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AcetalAmideCarbamateEtherLactam

Properties

Molecular formula
C18H25NO5
Molar mass
335.40 g/mol
Exact mass
335.1733 Da
logP
3.27Crippen estimate
Polar surface area
65.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
201856-57-7
SMILES
CCOC(C)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1
InChIKey
CZTZICYNMYGUNU-JQXSQYPDSA-N
InChI
InChI=1S/C18H25NO5/c1-6-22-12(2)23-15-14(13-10-8-7-9-11-13)19(16(15)20)17(21)24-18(3,4)5/h7-12,14-15H,6H2,1-5H3/t12?,14-,15+/m0/s1

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Names and synonyms

2 names
  • 1-Azetidinecarboxylic acid, 3-(1-ethoxyethoxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, (3R,4S)-
  • 1-Azetidinecarboxylic acid, 3-(1-ethoxyethoxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, [3R-(3α,4α)]-[partial]-

Work with 1,1-Dimethylethyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylate

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

tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-844 % similar 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-144 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-541 % similar 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-139 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-638 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-237 % similar (Diethoxymethyl)benzene774-48-135 % similar [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-735 % similar

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

Same formula

Senecionine130-01-8

Elsewhere

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