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

C13H19N3O4 — CID 119358781

IUPAC2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)N(C)C(C)C(=O)O)c1CC
InChIInChI=1S/C13H19N3O4/c1-5-8-9(6-2)14-15-11(17)10(8)12(18)16(4)7(3)13(19)20/h7H,5-6H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyGZRUHMKFJWKBHP-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.44
Rot. Bonds5

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

2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid (PubChem CID 119358781) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid
PubChem CID119358781
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid
SMILESCCc1n[nH]c(=O)c(C(=O)N(C)C(C)C(=O)O)c1CC
InChIInChI=1S/C13H19N3O4/c1-5-8-9(6-2)14-15-11(17)10(8)12(18)16(4)7(3)13(19)20/h7H,5-6H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyGZRUHMKFJWKBHP-UHFFFAOYSA-N
XLogP0.44
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid (CID 119358781) is 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid is CCc1n[nH]c(=O)c(C(=O)N(C)C(C)C(=O)O)c1CC.
What is the InChIKey of 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid?
The InChIKey is GZRUHMKFJWKBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-5-8-9(6-2)14-15-11(17)10(8)12(18)16(4)7(3)13(19)20/h7H,5-6H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid?
2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 119358781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).