4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid

C9H10N4O4 — CID 104669370

IUPAC4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
SMILESNC(=O)CC(NC(=O)c1ccnnc1)C(=O)O
InChIInChI=1S/C9H10N4O4/c10-7(14)3-6(9(16)17)13-8(15)5-1-2-11-12-4-5/h1-2,4,6H,3H2,(H2,10,14)(H,13,15)(H,16,17)
InChIKeyAQDMXNGTHMSJRG-UHFFFAOYSA-N
MW238.20 g/mol
LogP-1.47
Rot. Bonds5

About 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid

4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid (PubChem CID 104669370) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
PubChem CID104669370
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
SMILESNC(=O)CC(NC(=O)c1ccnnc1)C(=O)O
InChIInChI=1S/C9H10N4O4/c10-7(14)3-6(9(16)17)13-8(15)5-1-2-11-12-4-5/h1-2,4,6H,3H2,(H2,10,14)(H,13,15)(H,16,17)
InChIKeyAQDMXNGTHMSJRG-UHFFFAOYSA-N
XLogP-1.47
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic 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 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid?
The IUPAC name of 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid (CID 104669370) is 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid is NC(=O)CC(NC(=O)c1ccnnc1)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid?
The InChIKey is AQDMXNGTHMSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-7(14)3-6(9(16)17)13-8(15)5-1-2-11-12-4-5/h1-2,4,6H,3H2,(H2,10,14)(H,13,15)(H,16,17).
What are the key properties of 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid?
4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid has a molecular weight of 238.20 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 104669370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).