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

C11H17N3O4 — CID 79793544

IUPAC2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-4-11(2,10(17)18)12-9(16)7-5-6-8(15)14(3)13-7/h4-6H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyNXKBXHHUCWNHPD-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.04
Rot. Bonds4

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

2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 79793544) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID79793544
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-4-11(2,10(17)18)12-9(16)7-5-6-8(15)14(3)13-7/h4-6H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyNXKBXHHUCWNHPD-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 79793544) is 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is NXKBXHHUCWNHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-11(2,10(17)18)12-9(16)7-5-6-8(15)14(3)13-7/h4-6H2,1-3H3,(H,12,16)(H,17,18).
What are the key properties of 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
2-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 -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79793544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).