ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate

C13H19N3O5 — CID 61022062

IUPACethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C(C)C
InChIInChI=1S/C13H19N3O5/c1-4-21-13(20)8-15(9(2)3)12(19)7-16-11(18)6-5-10(17)14-16/h5-6,9H,4,7-8H2,1-3H3,(H,14,17)
InChIKeySLPAGEOXMLRXIG-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.66
Rot. Bonds6

About ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate (PubChem CID 61022062) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate
PubChem CID61022062
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Nameethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C(C)C
InChIInChI=1S/C13H19N3O5/c1-4-21-13(20)8-15(9(2)3)12(19)7-16-11(18)6-5-10(17)14-16/h5-6,9H,4,7-8H2,1-3H3,(H,14,17)
InChIKeySLPAGEOXMLRXIG-UHFFFAOYSA-N
XLogP-0.66
TPSA101.47 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 ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate with MolForge

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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
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
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]-methylamino]acetate
CID 43407597
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573293
2-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53525995
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
CID 54901506
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
CID 54979455
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 55003373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate (CID 61022062) is ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Cn1[nH]c(=O)ccc1=O)C(C)C.
What is the InChIKey of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is SLPAGEOXMLRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-4-21-13(20)8-15(9(2)3)12(19)7-16-11(18)6-5-10(17)14-16/h5-6,9H,4,7-8H2,1-3H3,(H,14,17).
What are the key properties of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 297.31 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 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]-propan-2-ylamino]acetate is sourced from PubChem (CID 61022062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).