(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

C11H14ClNO3 — CID 122130950

IUPAC(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
SMILESCOc1cccc2c1CCN[C@@H]2C(=O)O.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-15-9-4-2-3-8-7(9)5-6-12-10(8)11(13)14;/h2-4,10,12H,5-6H2,1H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyGSYAUHNRYGNDMP-PPHPATTJSA-N
MW243.69 g/mol
LogP1.39
Rot. Bonds2

About (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride (PubChem CID 122130950) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
PubChem CID122130950
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
SMILESCOc1cccc2c1CCN[C@@H]2C(=O)O.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-15-9-4-2-3-8-7(9)5-6-12-10(8)11(13)14;/h2-4,10,12H,5-6H2,1H3,(H,13,14);1H/t10-;/m0./s1
InChIKeyGSYAUHNRYGNDMP-PPHPATTJSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The IUPAC name of (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride (CID 122130950) is (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride is COc1cccc2c1CCN[C@@H]2C(=O)O.Cl.
What is the InChIKey of (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The InChIKey is GSYAUHNRYGNDMP-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-15-9-4-2-3-8-7(9)5-6-12-10(8)11(13)14;/h2-4,10,12H,5-6H2,1H3,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 122130950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).