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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Related Compounds

CID 102554602
CID 102554602
CID 43170214
CID 43170214
CID 43170302
CID 43170302
CID 43171219
CID 43171219
CID 43171957
CID 43171957
CID 43353307
CID 43353307
CID 43353333
CID 43353333
CID 43354065
CID 43354065
CID 43354487
CID 43354487
CID 43354512
CID 43354512
CID 43355089
CID 43355089
CID 43355353
CID 43355353

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).