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

C11H13NO2CAS 105400-81-5191.23 g/mol

Open in Covalent MOL file
NHOHO
Carboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
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)

Weigh it out

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

1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid41034-52-057 % similar Fluorene-9-acetic acid6284-80-651 % similar 2-(2,3-Dihydro-1H-inden-2-yl)acetic Acid37868-26-149 % similar (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline118864-75-845 % similar 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline22990-19-845 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-745 % similar Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-344 % similar Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-244 % 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 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9 2-Amino-5-phenyl-(2s)-4-pentenoic acid267650-37-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook