11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic acid

C₁₉H₁₅NO₃CAS 1353016-70-2305.33 g/mol

Open in Covalent MOL file

Alkyne Amide Carboxylic acid

Properties

Molecular formula: C₁₉H₁₅NO₃
Molar mass: 305.33 g/mol
Exact mass: 305.1052 Da
logP: 2.80Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

1353016-70-2

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)O

InChIKey

NDLOVDOICXITOK-UHFFFAOYSA-N

InChI

InChI=1S/C19H15NO3/c21-18(11-12-19(22)23)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13H2,(H,22,23)

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Names and synonyms

1 names

Dbco-acid

Work with 11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic 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

2-Cyanobenzeneacetic acid18698-99-240 % similar Melilotic acid495-78-338 % similar 1,2-Benzenediacetic acid7500-53-037 % similar N,N-Dimethylsuccinamic acid2564-95-636 % similar Pyroquilon57369-32-135 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-435 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-835 % similar Benzenepentanoic acid2270-20-434 % similar

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

Same formula

3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide1163-67-3

Elsewhere

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