2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid

C12H17N3O4 — CID 62819641

IUPAC2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccc(=O)n(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-5-15(12(2,3)11(18)19)10(17)8-6-7-9(16)14(4)13-8/h6-7H,5H2,1-4H3,(H,18,19)
InChIKeyQVAODTLUKRJMBI-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.11
Rot. Bonds4

About 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62819641) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62819641
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccc(=O)n(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-5-15(12(2,3)11(18)19)10(17)8-6-7-9(16)14(4)13-8/h6-7H,5H2,1-4H3,(H,18,19)
InChIKeyQVAODTLUKRJMBI-UHFFFAOYSA-N
XLogP0.11
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic 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-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid (CID 62819641) is 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1ccc(=O)n(C)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is QVAODTLUKRJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-5-15(12(2,3)11(18)19)10(17)8-6-7-9(16)14(4)13-8/h6-7H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62819641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).