[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C11H17N3O4 — CID 39866549

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCC(C)NC(=O)COC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C11H17N3O4/c1-7(2)12-9(15)6-18-11(17)8-4-5-10(16)14(3)13-8/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyCYEUVBNBKBMFEB-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.34
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 39866549) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID39866549
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCC(C)NC(=O)COC(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C11H17N3O4/c1-7(2)12-9(15)6-18-11(17)8-4-5-10(16)14(3)13-8/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyCYEUVBNBKBMFEB-UHFFFAOYSA-N
XLogP-0.34
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 39866549) is [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is CC(C)NC(=O)COC(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is CYEUVBNBKBMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)12-9(15)6-18-11(17)8-4-5-10(16)14(3)13-8/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 39866549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).