2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid

C8H8N2O4 — CID 68625069

IUPAC2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NC(=O)C1=CC=CNC1
InChIInChI=1S/C8H8N2O4/c11-6(10-7(12)8(13)14)5-2-1-3-9-4-5/h1-3,9H,4H2,(H,13,14)(H,10,11,12)
InChIKeyVXMUODNYHZULPA-UHFFFAOYSA-N
MW196.16 g/mol
LogP-1.24
Rot. Bonds1

About 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid

2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid (PubChem CID 68625069) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid
PubChem CID68625069
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid
SMILESO=C(O)C(=O)NC(=O)C1=CC=CNC1
InChIInChI=1S/C8H8N2O4/c11-6(10-7(12)8(13)14)5-2-1-3-9-4-5/h1-3,9H,4H2,(H,13,14)(H,10,11,12)
InChIKeyVXMUODNYHZULPA-UHFFFAOYSA-N
XLogP-1.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic 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-dihydropyridine-3-carbonylamino)-2-oxoacetic acid?
The IUPAC name of 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid (CID 68625069) is 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid is O=C(O)C(=O)NC(=O)C1=CC=CNC1.
What is the InChIKey of 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid?
The InChIKey is VXMUODNYHZULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6(10-7(12)8(13)14)5-2-1-3-9-4-5/h1-3,9H,4H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid?
2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid has a molecular weight of 196.16 g/mol, XLogP of -1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridine-3-carbonylamino)-2-oxoacetic acid is sourced from PubChem (CID 68625069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).