2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride

C11H14ClNO2 — CID 2791631

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1NCCc2ccccc21
InChIInChI=1S/C11H13NO2.ClH/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);1H
InChIKeyMAMMPCJZZFKLGU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.77
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride

2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride (PubChem CID 2791631) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride
PubChem CID2791631
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1NCCc2ccccc21
InChIInChI=1S/C11H13NO2.ClH/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);1H
InChIKeyMAMMPCJZZFKLGU-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride (CID 2791631) is 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1NCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride?
The InChIKey is MAMMPCJZZFKLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/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);1H.
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride?
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 2791631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).