(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

C₁₀H₁₁NO₂CAS 74163-81-8177.20 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Secondary Amine

Properties

Molecular formula: C₁₀H₁₁NO₂
Molar mass: 177.20 g/mol
Exact mass: 177.0790 Da
Melting point: above 300 °C
logP: 0.79Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

74163-81-8

SMILES

O=C(O)[C@@H]1Cc2ccccc2CN1

InChIKey

BWKMGYQJPOAASG-VIFPVBQESA-N

InChI

InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1

Weigh it out

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

Names and synonyms

8 names

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (S)-
(3S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid
L-3-Carboxy-1,2,3,4-tetrahydroisoquinoline
L-Porretine
L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
(3S)-1,2,3,4-Tetrahydroisoquinolin-2-ium-3-carboxylate

Work with (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 5,6-Dimethoxyindole14430-23-0 N-(4-Acetylphenyl)acetamide2719-21-3 3-Ethoxy-4-methoxybenzonitrile60758-86-3 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-1 N-(3-Acetylphenyl)acetamide7463-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook