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

C11H17N3O4 — CID 43422641

IUPACmethyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1=NNC(=O)CC1)C(C)C
InChIInChI=1S/C11H17N3O4/c1-6(2)9(11(17)18-3)12-10(16)7-4-5-8(15)14-13-7/h6,9H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyXGVYLJQCIVZMFE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.43
Rot. Bonds4

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

methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate (PubChem CID 43422641) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
PubChem CID43422641
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1=NNC(=O)CC1)C(C)C
InChIInChI=1S/C11H17N3O4/c1-6(2)9(11(17)18-3)12-10(16)7-4-5-8(15)14-13-7/h6,9H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyXGVYLJQCIVZMFE-UHFFFAOYSA-N
XLogP-0.43
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate (CID 43422641) is methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate is COC(=O)C(NC(=O)C1=NNC(=O)CC1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
The InChIKey is XGVYLJQCIVZMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)9(11(17)18-3)12-10(16)7-4-5-8(15)14-13-7/h6,9H,4-5H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate has a molecular weight of 255.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 43422641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).