ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate

C11H15N3O5 — CID 61344775

IUPACethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-3-19-11(18)7(2)12-9(16)6-14-10(17)5-4-8(15)13-14/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyXNFZSCFHDUUHQM-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.40
Rot. Bonds5

About ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate

ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate (PubChem CID 61344775) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
PubChem CID61344775
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Nameethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-3-19-11(18)7(2)12-9(16)6-14-10(17)5-4-8(15)13-14/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyXNFZSCFHDUUHQM-UHFFFAOYSA-N
XLogP-1.40
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 28888360
ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)-2-fluoroacetate
CID 81296720
Methyl 2-(3,6-dioxo-1,2-dihydropyridazinyl)acetate
CID 3375754
1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
ethyl 2-(3-carbamoyl-5-oxo-1H-pyrazol-2-yl)propanoate
CID 68129104
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357564
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
CID 43404707
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 43407115
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 43407597
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoate
CID 43422667
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43469221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate (CID 61344775) is ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
The InChIKey is XNFZSCFHDUUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-19-11(18)7(2)12-9(16)6-14-10(17)5-4-8(15)13-14/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate?
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate has a molecular weight of 269.26 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 61344775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).