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Chemical structure of (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

GC33574

(R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

Also known as (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

(R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid is a constrained Phe analogue which can fold into a beta-bend and a helical structure, and to adopt a preferred side-chain disposition in the peptide

ChemicalCAS103733-65-9MW177.2FormulaC10H11NO2
CAS number
103733-65-9
Molecular weight
177.2
Formula
C10H11NO2
Solubility
H2O ： 1 mg/mL (5·64 mM; ultrasonic and warming and heat to 60°C); DMSO ： < 1 mg/mL (insoluble or slightly soluble)
InChIKey
BWKMGYQJPOAASG-SECBINFHSA-N
Catalogue number
GC33574
Brand
GLPBIO
Computed properties PubChem CID 712398 · XLogP -1.3 · TPSA 49.3 Ų · H-bond donors 2
XLogP
-1.3
TPSA
49.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

SMILES C1[C@@H](NCC2=CC=CC=C21)C(=O)O

Computed descriptors from PubChem (CID 712398), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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