3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid

C11H15N3O5 — CID 61006969

IUPAC3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-2-13(6-5-11(18)19)10(17)7-14-9(16)4-3-8(15)12-14/h3-4H,2,5-7H2,1H3,(H,12,15)(H,18,19)
InChIKeyWDFIFWZHOGFKTO-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.14
Rot. Bonds6

About 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid

3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid (PubChem CID 61006969) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid
PubChem CID61006969
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-2-13(6-5-11(18)19)10(17)7-14-9(16)4-3-8(15)12-14/h3-4H,2,5-7H2,1H3,(H,12,15)(H,18,19)
InChIKeyWDFIFWZHOGFKTO-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid with MolForge

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Related Compounds

3-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 543990
3-[2-[2-(2,5-Dioxopyrrol-1-yl)ethyl]hydrazinyl]propanoic acid
CID 162720754
methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 17607782
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43172649
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
CID 54901506
methyl 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]propanoate
CID 54978349
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008304

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid (CID 61006969) is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid?
The InChIKey is WDFIFWZHOGFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-13(6-5-11(18)19)10(17)7-14-9(16)4-3-8(15)12-14/h3-4H,2,5-7H2,1H3,(H,12,15)(H,18,19).
What are the key properties of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid?
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61006969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).