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

C10H13N3O5 — CID 60811380

IUPACethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-2-18-10(17)5-11-8(15)6-13-9(16)4-3-7(14)12-13/h3-4H,2,5-6H2,1H3,(H,11,15)(H,12,14)
InChIKeySYBMREBJYJVOPU-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.78
Rot. Bonds5

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

ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate (PubChem CID 60811380) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
PubChem CID60811380
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-2-18-10(17)5-11-8(15)6-13-9(16)4-3-7(14)12-13/h3-4H,2,5-6H2,1H3,(H,11,15)(H,12,14)
InChIKeySYBMREBJYJVOPU-UHFFFAOYSA-N
XLogP-1.78
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]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
ethyl 2-[[(E)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-enoyl]amino]acetate
CID 121010917
2-methylpropoxycarbonyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 88749825
Ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate
CID 154095540
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate (CID 60811380) is ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate?
The InChIKey is SYBMREBJYJVOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-18-10(17)5-11-8(15)6-13-9(16)4-3-7(14)12-13/h3-4H,2,5-6H2,1H3,(H,11,15)(H,12,14).
What are the key properties of ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate?
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate has a molecular weight of 255.23 g/mol, XLogP of -1.78, 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]acetate is sourced from PubChem (CID 60811380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).