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

C10H13N3O4 — CID 43170863

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)NC(C)C(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-4-5(2)12-13-9(15)7(4)8(14)11-6(3)10(16)17/h6H,1-3H3,(H,11,14)(H,13,15)(H,16,17)
InChIKeyVZUCFIJRGJENNL-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.41
Rot. Bonds3

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

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid (PubChem CID 43170863) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
PubChem CID43170863
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)NC(C)C(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-4-5(2)12-13-9(15)7(4)8(14)11-6(3)10(16)17/h6H,1-3H3,(H,11,14)(H,13,15)(H,16,17)
InChIKeyVZUCFIJRGJENNL-UHFFFAOYSA-N
XLogP-0.41
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid (CID 43170863) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid is Cc1n[nH]c(=O)c(C(=O)NC(C)C(=O)O)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The InChIKey is VZUCFIJRGJENNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-4-5(2)12-13-9(15)7(4)8(14)11-6(3)10(16)17/h6H,1-3H3,(H,11,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43170863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).