4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

C11H17N3O4 — CID 43172428

IUPAC4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C11H17N3O4/c1-13(7-3-4-10(16)17)11(18)8-5-6-9(15)14(2)12-8/h3-7H2,1-2H3,(H,16,17)
InChIKeyXUAVZFVHYSEHKN-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.08
Rot. Bonds5

About 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43172428) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43172428
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C11H17N3O4/c1-13(7-3-4-10(16)17)11(18)8-5-6-9(15)14(2)12-8/h3-7H2,1-2H3,(H,16,17)
InChIKeyXUAVZFVHYSEHKN-UHFFFAOYSA-N
XLogP-0.08
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]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-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 43172428) is 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is XUAVZFVHYSEHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-13(7-3-4-10(16)17)11(18)8-5-6-9(15)14(2)12-8/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43172428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).