2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid

C10H15N3O4 — CID 62819186

IUPAC2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)C1=NNC(=O)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,9(16)17)13(3)8(15)6-4-5-7(14)12-11-6/h4-5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyAXPKMIZDYIRSOP-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.43
Rot. Bonds3

About 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 62819186) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID62819186
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)C1=NNC(=O)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,9(16)17)13(3)8(15)6-4-5-7(14)12-11-6/h4-5H2,1-3H3,(H,12,14)(H,16,17)
InChIKeyAXPKMIZDYIRSOP-UHFFFAOYSA-N
XLogP-0.43
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (CID 62819186) is 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is CN(C(=O)C1=NNC(=O)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is AXPKMIZDYIRSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,9(16)17)13(3)8(15)6-4-5-7(14)12-11-6/h4-5H2,1-3H3,(H,12,14)(H,16,17).
What are the key properties of 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62819186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).