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

C12H19N3O4 — CID 43353307

IUPAC4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-7(2)6-9(12(18)19)13-11(17)8-4-5-10(16)15(3)14-8/h7,9H,4-6H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyBMLCIFCVAKCOJZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.21
Rot. Bonds5

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

4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43353307) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43353307
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-7(2)6-9(12(18)19)13-11(17)8-4-5-10(16)15(3)14-8/h7,9H,4-6H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyBMLCIFCVAKCOJZ-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid (CID 43353307) is 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is BMLCIFCVAKCOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7(2)6-9(12(18)19)13-11(17)8-4-5-10(16)15(3)14-8/h7,9H,4-6H2,1-3H3,(H,13,17)(H,18,19).
What are the key properties of 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43353307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).