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

C11H15N3O5 — CID 54979455

IUPACmethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-3-13(7-11(18)19-2)10(17)6-14-9(16)5-4-8(15)12-14/h4-5H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyLTMROAPMYADSHK-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.44
Rot. Bonds5

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

methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate (PubChem CID 54979455) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
PubChem CID54979455
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-3-13(7-11(18)19-2)10(17)6-14-9(16)5-4-8(15)12-14/h4-5H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyLTMROAPMYADSHK-UHFFFAOYSA-N
XLogP-1.44
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate (CID 54979455) is methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate is CCN(CC(=O)OC)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate?
The InChIKey is LTMROAPMYADSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-13(7-11(18)19-2)10(17)6-14-9(16)5-4-8(15)12-14/h4-5H,3,6-7H2,1-2H3,(H,12,15).
What are the key properties of methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate?
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate has a molecular weight of 269.26 g/mol, XLogP of -1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate is sourced from PubChem (CID 54979455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).