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

C10H13N3O5 — CID 54901506

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-2-12(6-10(17)18)9(16)5-13-8(15)4-3-7(14)11-13/h3-4H,2,5-6H2,1H3,(H,11,14)(H,17,18)
InChIKeyVVXIYKAOHMROFP-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.53
Rot. Bonds5

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid (PubChem CID 54901506) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
PubChem CID54901506
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-2-12(6-10(17)18)9(16)5-13-8(15)4-3-7(14)11-13/h3-4H,2,5-6H2,1H3,(H,11,14)(H,17,18)
InChIKeyVVXIYKAOHMROFP-UHFFFAOYSA-N
XLogP-1.53
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid (CID 54901506) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid?
The InChIKey is VVXIYKAOHMROFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-12(6-10(17)18)9(16)5-13-8(15)4-3-7(14)11-13/h3-4H,2,5-6H2,1H3,(H,11,14)(H,17,18).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid is sourced from PubChem (CID 54901506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).