4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester

C₁₃H₁₇NO₃CAS 135782-29-5235.28 g/mol

Open in Covalent MOL file

Ester Ether Tertiary amine

Properties

Molecular formula: C₁₃H₁₇NO₃
Molar mass: 235.28 g/mol
Exact mass: 235.1208 Da
logP: 1.06Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

135782-29-5

SMILES

COC(=O)C1CN(CCO1)CC2=CC=CC=C2

InChIKey

XXHMAJMVQRTGQE-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO3/c1-16-13(15)12-10-14(7-8-17-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3

Weigh it out

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

Names and synonyms

1 names

Methyl 4-benzylmorpholine-2-carboxylate

Work with 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester

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

Methyl 1-benzylpiperidine-4-carboxylate10315-06-760 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-358 % similar 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-553 % similar Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-350 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-749 % similar 4-Benzylmorpholine-2-carbonitrile126645-52-149 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-449 % similar 4-Benzyl-2-(chloromethyl)morpholine40987-25-549 % similar

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

Same formula

(S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-0 N-Benzoyl-dl-leucine17966-67-5 Eutylone802855-66-9 N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook