1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 2724135

IUPAC1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1Cc2ccccc2CN1
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H
InChIKeyFXHCFPUEIDRTMR-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.21
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride

1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 2724135) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
PubChem CID2724135
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1Cc2ccccc2CN1
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H
InChIKeyFXHCFPUEIDRTMR-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride (CID 2724135) is 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1Cc2ccccc2CN1.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is FXHCFPUEIDRTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 2724135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).