3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

C11H17N3O4 — CID 43354039

IUPAC3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6(2)9(11(17)18)12-10(16)7-4-5-8(15)14(3)13-7/h6,9H,4-5H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyJEQQDYZMNDPQAE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.18
Rot. Bonds4

About 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43354039) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43354039
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6(2)9(11(17)18)12-10(16)7-4-5-8(15)14(3)13-7/h6,9H,4-5H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyJEQQDYZMNDPQAE-UHFFFAOYSA-N
XLogP-0.18
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 43354039) is 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is JEQQDYZMNDPQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)9(11(17)18)12-10(16)7-4-5-8(15)14(3)13-7/h6,9H,4-5H2,1-3H3,(H,12,16)(H,17,18).
What are the key properties of 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43354039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).