chempirical

(3R,4S)-tert-Butyl 2-oxo-4-phenyl-3-(triethylsilyloxy)azetidine-1-carboxylate

C20H31NO4SiCAS 149198-47-0377.56 g/mol

Open in Covalent MOL file
SiONOOO
AmideCarbamateLactamSilyl ether

Properties

Molecular formula
C20H31NO4Si
Molar mass
377.56 g/mol
Exact mass
377.2022 Da
logP
4.90Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
149198-47-0
SMILES
CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
InChIKey
LHTDXUKSFSMGCA-DLBZAZTESA-N
InChI
InChI=1S/C20H31NO4Si/c1-7-26(8-2,9-3)25-17-16(15-13-11-10-12-14-15)21(18(17)22)19(23)24-20(4,5)6/h10-14,16-17H,7-9H2,1-6H3/t16-,17+/m0/s1

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Work with (3R,4S)-tert-Butyl 2-oxo-4-phenyl-3-(triethylsilyloxy)azetidine-1-carboxylate

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

1,1-Dimethylethyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylate201856-57-763 % similar tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-846 % similar 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-146 % similar (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid143527-70-244 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-640 % similar (4S,5R)-3-tert-Butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid196404-55-439 % similar (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone201856-53-339 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-538 % similar

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

Elsewhere

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