Morpholin-4-yl-phenyl-acetic acid

C₁₂H₁₅NO₃CAS 6342-19-4221.26 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO₃
Molar mass: 221.26 g/mol
Exact mass: 221.1052 Da
logP: 1.14Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6342-19-4

SMILES

C1COCCN1C(C2=CC=CC=C2)C(=O)O

InChIKey

OZJNQHRPTQSJDF-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO3/c14-12(15)11(10-4-2-1-3-5-10)13-6-8-16-9-7-13/h1-5,11H,6-9H2,(H,14,15)

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Work with Morpholin-4-yl-phenyl-acetic acid

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

4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-657 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-649 % similar Diphenylacetic acid117-34-047 % similar Phenylmalonic acid2613-89-047 % similar Methenamine mandelate587-23-545 % similar cis-(1R,2S)-2-Phenylcyclopropane-1-carboxylic acid48126-51-845 % similar Tropic acid529-64-645 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-245 % similar

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

Same formula

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-1 Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-7 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 Metaxalone1665-48-1 Benzoyl-dl-valine2901-80-6 2-Acetyl-4-butyramidophenol40188-45-2 4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-0

Elsewhere

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