2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid

C11H13NO2 — CID 15157731

IUPAC2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C11H13NO2/c13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7H2,(H,13,14)
InChIKeyLJIJHRLNRYAOEM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.67
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid

2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid (PubChem CID 15157731) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
PubChem CID15157731
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C11H13NO2/c13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7H2,(H,13,14)
InChIKeyLJIJHRLNRYAOEM-UHFFFAOYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic 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 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid (CID 15157731) is 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid is O=C(O)Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
The InChIKey is LJIJHRLNRYAOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5,7H2,(H,13,14).
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid?
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid has a molecular weight of 191.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-6-yl)acetic acid is sourced from PubChem (CID 15157731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).