2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid

C11H13NO3 — CID 21493804

IUPAC2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(ccc1=O)CCCC2
InChIInChI=1S/C11H13NO3/c13-10-6-5-8-3-1-2-4-9(8)12(10)7-11(14)15/h5-6H,1-4,7H2,(H,14,15)
InChIKeyXUXFZGAGYXYKEG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.81
Rot. Bonds2

About 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid

2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid (PubChem CID 21493804) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid
PubChem CID21493804
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(ccc1=O)CCCC2
InChIInChI=1S/C11H13NO3/c13-10-6-5-8-3-1-2-4-9(8)12(10)7-11(14)15/h5-6H,1-4,7H2,(H,14,15)
InChIKeyXUXFZGAGYXYKEG-UHFFFAOYSA-N
XLogP0.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-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-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid (CID 21493804) is 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid is O=C(O)Cn1c2c(ccc1=O)CCCC2.
What is the InChIKey of 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid?
The InChIKey is XUXFZGAGYXYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10-6-5-8-3-1-2-4-9(8)12(10)7-11(14)15/h5-6H,1-4,7H2,(H,14,15).
What are the key properties of 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid?
2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)acetic acid is sourced from PubChem (CID 21493804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).