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

C11H11NO3 — CID 130855424

IUPAC2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
SMILESO=C(O)C(=O)C1CCCc2cccnc21
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)8-5-1-3-7-4-2-6-12-9(7)8/h2,4,6,8H,1,3,5H2,(H,14,15)
InChIKeyOIUMLNZBRYFYDT-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.16
Rot. Bonds2

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

2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid (PubChem CID 130855424) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
PubChem CID130855424
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
SMILESO=C(O)C(=O)C1CCCc2cccnc21
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)8-5-1-3-7-4-2-6-12-9(7)8/h2,4,6,8H,1,3,5H2,(H,14,15)
InChIKeyOIUMLNZBRYFYDT-UHFFFAOYSA-N
XLogP1.16
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid?
The IUPAC name of 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid (CID 130855424) is 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid is O=C(O)C(=O)C1CCCc2cccnc21.
What is the InChIKey of 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid?
The InChIKey is OIUMLNZBRYFYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(11(14)15)8-5-1-3-7-4-2-6-12-9(7)8/h2,4,6,8H,1,3,5H2,(H,14,15).
What are the key properties of 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid?
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid is sourced from PubChem (CID 130855424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).