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

C9H11N3O5 — CID 43356157

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N3O5/c1-11(5-9(16)17)8(15)4-12-7(14)3-2-6(13)10-12/h2-3H,4-5H2,1H3,(H,10,13)(H,16,17)
InChIKeyKTPNHUNECFXQCL-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.92
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid (PubChem CID 43356157) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
PubChem CID43356157
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N3O5/c1-11(5-9(16)17)8(15)4-12-7(14)3-2-6(13)10-12/h2-3H,4-5H2,1H3,(H,10,13)(H,16,17)
InChIKeyKTPNHUNECFXQCL-UHFFFAOYSA-N
XLogP-1.92
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid
CID 229302
ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 28888360
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265081
2-(3,6-dioxo-1H-pyridazin-2-yl)-2-fluoroacetic acid
CID 81296535
Methyl 2-(3,6-dioxo-1,2-dihydropyridazinyl)acetate
CID 3375754
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 10036667
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
CID 19922511
2-[[(E)-4-hydrazinyl-4-oxobut-2-enyl]-methylamino]acetic acid
CID 144832741
2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 1615790
2-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoic acid
CID 16787150
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]acetic acid
CID 43354354

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid (CID 43356157) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid is CN(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]-methylamino]acetic acid?
The InChIKey is KTPNHUNECFXQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-11(5-9(16)17)8(15)4-12-7(14)3-2-6(13)10-12/h2-3H,4-5H2,1H3,(H,10,13)(H,16,17).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid has a molecular weight of 241.20 g/mol, XLogP of -1.92, 4 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]-methylamino]acetic acid is sourced from PubChem (CID 43356157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).