(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid

C₁₁H₁₃NO₂CAS 105400-81-5191.23 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
logP: 1.35Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

105400-81-5

SMILES

C1CNC(C2=CC=CC=C21)CC(=O)O

InChIKey

BUAVPRGEIAVFBF-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)

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

Names and synonyms

1 names

(1,2,3,4-Tetrahydroisoquinolin-1-yl)acetic acid

Work with (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-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

Fluorene-9-acetic acid6284-80-651 % similar (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline118864-75-845 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-745 % similar 1,2-Benzenediacetic acid7500-53-043 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-343 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-243 % similar 3-Phenylglutaric acid4165-96-243 % similar Diphenylpropionic acid606-83-743 % similar

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

Same formula

(3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-1 3-(4-Morpholinyl)benzaldehyde446866-87-1 Ethyl 3-(4-aminophenyl)-2-propenoate5048-82-8

Elsewhere

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