2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid

C13H19N3O5 — CID 62818105

IUPAC2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCOCCn1nc(C(=O)N(C)C(C)(C)C(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-13(2,12(19)20)15(3)11(18)9-5-6-10(17)16(14-9)7-8-21-4/h5-6H,7-8H2,1-4H3,(H,19,20)
InChIKeyQLISMLVNPVDUDS-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.18
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62818105) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID62818105
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCOCCn1nc(C(=O)N(C)C(C)(C)C(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-13(2,12(19)20)15(3)11(18)9-5-6-10(17)16(14-9)7-8-21-4/h5-6H,7-8H2,1-4H3,(H,19,20)
InChIKeyQLISMLVNPVDUDS-UHFFFAOYSA-N
XLogP-0.18
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524
3-[ethyl-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 61008268
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
N-ethyl-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 115771207
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449208

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid (CID 62818105) is 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid is COCCn1nc(C(=O)N(C)C(C)(C)C(=O)O)ccc1=O.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is QLISMLVNPVDUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-13(2,12(19)20)15(3)11(18)9-5-6-10(17)16(14-9)7-8-21-4/h5-6H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).