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

C11H17N3O4 — CID 80539041

IUPAC2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(CCNC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-7(11(17)18)5-6-12-10(16)8-3-4-9(15)14(2)13-8/h7H,3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyFIAKUMUUSQWVAF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.18
Rot. Bonds5

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

2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 80539041) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID80539041
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(CCNC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-7(11(17)18)5-6-12-10(16)8-3-4-9(15)14(2)13-8/h7H,3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyFIAKUMUUSQWVAF-UHFFFAOYSA-N
XLogP-0.18
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 80539041) is 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CC(CCNC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is FIAKUMUUSQWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(11(17)18)5-6-12-10(16)8-3-4-9(15)14(2)13-8/h7H,3-6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
2-methyl-4-[(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, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 80539041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).