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

C10H13N3O4 — CID 43356367

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid
SMILESCc1n[nH]c(=O)c(C(=O)N(C)CC(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-5-6(2)11-12-9(16)8(5)10(17)13(3)4-7(14)15/h4H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyIZVMIBOTFHSOPK-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.46
Rot. Bonds3

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

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid (PubChem CID 43356367) 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)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid
PubChem CID43356367
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid
SMILESCc1n[nH]c(=O)c(C(=O)N(C)CC(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-5-6(2)11-12-9(16)8(5)10(17)13(3)4-7(14)15/h4H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyIZVMIBOTFHSOPK-UHFFFAOYSA-N
XLogP-0.46
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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)-methylamino]acetic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid (CID 43356367) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid is Cc1n[nH]c(=O)c(C(=O)N(C)CC(=O)O)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid?
The InChIKey is IZVMIBOTFHSOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-6(2)11-12-9(16)8(5)10(17)13(3)4-7(14)15/h4H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 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)-methylamino]acetic acid is sourced from PubChem (CID 43356367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).