methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate

C11H15N3O6 — CID 62952970

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15N3O6/c1-19-9(16)5-14(6-10(17)20-2)11(18)7-3-4-8(15)13-12-7/h3-6H2,1-2H3,(H,13,15)
InChIKeyLDSFSISJUJPWFI-UHFFFAOYSA-N
MW285.26 g/mol
LogP-1.57
Rot. Bonds5

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

methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (PubChem CID 62952970) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
PubChem CID62952970
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H15N3O6/c1-19-9(16)5-14(6-10(17)20-2)11(18)7-3-4-8(15)13-12-7/h3-6H2,1-2H3,(H,13,15)
InChIKeyLDSFSISJUJPWFI-UHFFFAOYSA-N
XLogP-1.57
TPSA114.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate (CID 62952970) is methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
The InChIKey is LDSFSISJUJPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-19-9(16)5-14(6-10(17)20-2)11(18)7-3-4-8(15)13-12-7/h3-6H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate has a molecular weight of 285.26 g/mol, XLogP of -1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate is sourced from PubChem (CID 62952970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).