Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

C₂₄H₂₁NO₄CAS 100516-54-9387.44 g/mol

Open in Covalent MOL file

Carbamate Ester Lactone

Properties

Molecular formula: C₂₄H₂₁NO₄
Molar mass: 387.44 g/mol
Exact mass: 387.1471 Da
logP: 4.66Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

100516-54-9

SMILES

C1C(=O)O[C@@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChIKey

HECRUWTZAMPQOS-XZOQPEGZSA-N

InChI

InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m0/s1

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

Names and synonyms

1 names

(2R,3S)-(-)-N-Z-6-Oxo-2,3-diphenylmorpholine

Work with Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

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-carboxylate112741-49-865 % similar 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-165 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-845 % similar Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-545 % similar 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-345 % similar (2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid13504-86-445 % similar (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-044 % similar Cbz-L-prolinol6216-63-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-3 Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-2 Fmoc-phe-oh286460-71-7 Fmoc-L-phenylalanine35661-40-6 Fmoc-D-phenylalanine86123-10-6

Elsewhere

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