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

C12H19N3O4 — CID 62042860

IUPAC4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
SMILESCN1N=C(C(=O)NC(C)(C)CCC(=O)O)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-12(2,7-6-10(17)18)13-11(19)8-4-5-9(16)15(3)14-8/h4-7H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyKXGXMMPFIYTDPC-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.35
Rot. Bonds5

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

4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 62042860) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID62042860
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
SMILESCN1N=C(C(=O)NC(C)(C)CCC(=O)O)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-12(2,7-6-10(17)18)13-11(19)8-4-5-9(16)15(3)14-8/h4-7H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyKXGXMMPFIYTDPC-UHFFFAOYSA-N
XLogP0.35
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic 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-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid (CID 62042860) is 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid is CN1N=C(C(=O)NC(C)(C)CCC(=O)O)CCC1=O.
What is the InChIKey of 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is KXGXMMPFIYTDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,7-6-10(17)18)13-11(19)8-4-5-9(16)15(3)14-8/h4-7H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62042860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).