2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid

C10H8N2O4 — CID 43445015

IUPAC2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
SMILESO=C1CN(C(=O)C(=O)O)c2ccccc2N1
InChIInChI=1S/C10H8N2O4/c13-8-5-12(9(14)10(15)16)7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,11,13)(H,15,16)
InChIKeyAIEIEADFKCAOTJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.06
Rot. Bonds

About 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid

2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid (PubChem CID 43445015) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
PubChem CID43445015
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
SMILESO=C1CN(C(=O)C(=O)O)c2ccccc2N1
InChIInChI=1S/C10H8N2O4/c13-8-5-12(9(14)10(15)16)7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,11,13)(H,15,16)
InChIKeyAIEIEADFKCAOTJ-UHFFFAOYSA-N
XLogP0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-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-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
The IUPAC name of 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid (CID 43445015) is 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid is O=C1CN(C(=O)C(=O)O)c2ccccc2N1.
What is the InChIKey of 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
The InChIKey is AIEIEADFKCAOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-8-5-12(9(14)10(15)16)7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,11,13)(H,15,16).
What are the key properties of 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid?
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid has a molecular weight of 220.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid is sourced from PubChem (CID 43445015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).