3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid

C11H17N3O3 — CID 114394016

IUPAC3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid
SMILESCCN(C)c1cnn(CC(C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(3)9-5-10(15)14(12-6-9)7-8(2)11(16)17/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyBEKDYFNUORDRPV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.42
Rot. Bonds5

About 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid

3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid (PubChem CID 114394016) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid
PubChem CID114394016
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid
SMILESCCN(C)c1cnn(CC(C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(3)9-5-10(15)14(12-6-9)7-8(2)11(16)17/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyBEKDYFNUORDRPV-UHFFFAOYSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanoic acid
CID 104920869
2-[[4-(Dimethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920874
2-[[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920892
2-[[4-(Diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920895
3,3,3-Trifluoro-2-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]propanoic acid
CID 104920899
methyl 3-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]propanoate
CID 30852551
2-Methyl-3-(6-oxopyridazin-1-yl)propanoic acid
CID 62848719
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
4-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920873
4-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920891
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548455
2-[(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]prop-2-enoic acid
CID 113579309

Frequently Asked Questions

What is the IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid (CID 114394016) is 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid is CCN(C)c1cnn(CC(C)C(=O)O)c(=O)c1.
What is the InChIKey of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
The InChIKey is BEKDYFNUORDRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(3)9-5-10(15)14(12-6-9)7-8(2)11(16)17/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid?
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 114394016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).