(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

C11H13NO2 — CID 121229284

IUPAC(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
SMILESC[C@@H]1NCCc2cccc(C(=O)O)c21
InChIInChI=1S/C11H13NO2/c1-7-10-8(5-6-12-7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyGVAAOBULEFOLBI-ZETCQYMHSA-N
MW191.23 g/mol
LogP1.59
Rot. Bonds1

About (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid (PubChem CID 121229284) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
PubChem CID121229284
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
SMILESC[C@@H]1NCCc2cccc(C(=O)O)c21
InChIInChI=1S/C11H13NO2/c1-7-10-8(5-6-12-7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyGVAAOBULEFOLBI-ZETCQYMHSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid?
The IUPAC name of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid (CID 121229284) is (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid.
What is the SMILES notation for (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid?
The canonical SMILES for (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid is C[C@@H]1NCCc2cccc(C(=O)O)c21.
What is the InChIKey of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid?
The InChIKey is GVAAOBULEFOLBI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-10-8(5-6-12-7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid?
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid is sourced from PubChem (CID 121229284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).