3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid

C11H15N3O3 — CID 112555141

IUPAC3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O3/c1-3-14(7-8(2)11(16)17)10(15)9-4-5-12-13-6-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyPBSVORHLTMPUAO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.66
Rot. Bonds5

About 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid

3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 112555141) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID112555141
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccnnc1
InChIInChI=1S/C11H15N3O3/c1-3-14(7-8(2)11(16)17)10(15)9-4-5-12-13-6-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyPBSVORHLTMPUAO-UHFFFAOYSA-N
XLogP0.66
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752591
N-ethyl-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 115769350
3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325449
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454
2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710709
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 104671971

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid (CID 112555141) is 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1ccnnc1.
What is the InChIKey of 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is PBSVORHLTMPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-14(7-8(2)11(16)17)10(15)9-4-5-12-13-6-9/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 112555141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).