6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C11H13NO3 — CID 22326243

IUPAC6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESCC1NC(C(=O)O)Cc2cc(O)ccc21
InChIInChI=1S/C11H13NO3/c1-6-9-3-2-8(13)4-7(9)5-10(12-6)11(14)15/h2-4,6,10,12-13H,5H2,1H3,(H,14,15)
InChIKeyZROUARAECJDWIY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.05
Rot. Bonds1

About 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 22326243) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID22326243
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESCC1NC(C(=O)O)Cc2cc(O)ccc21
InChIInChI=1S/C11H13NO3/c1-6-9-3-2-8(13)4-7(9)5-10(12-6)11(14)15/h2-4,6,10,12-13H,5H2,1H3,(H,14,15)
InChIKeyZROUARAECJDWIY-UHFFFAOYSA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 22326243) is 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is CC1NC(C(=O)O)Cc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is ZROUARAECJDWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-9-3-2-8(13)4-7(9)5-10(12-6)11(14)15/h2-4,6,10,12-13H,5H2,1H3,(H,14,15).
What are the key properties of 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 22326243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).