6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C11H13NO3 — CID 44890862

IUPAC6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESCOc1ccc2c(c1)CCNC2C(=O)O
InChIInChI=1S/C11H13NO3/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)11(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14)
InChIKeyQIRHLLVXHCWXEL-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.97
Rot. Bonds2

About 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 44890862) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID44890862
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESCOc1ccc2c(c1)CCNC2C(=O)O
InChIInChI=1S/C11H13NO3/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)11(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14)
InChIKeyQIRHLLVXHCWXEL-UHFFFAOYSA-N
XLogP0.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 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 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 44890862) is 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is COc1ccc2c(c1)CCNC2C(=O)O.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is QIRHLLVXHCWXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)11(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 44890862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).