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

C8H9N3O5 — CID 43354354

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H9N3O5/c12-5-1-2-7(14)11(10-5)4-6(13)9-3-8(15)16/h1-2H,3-4H2,(H,9,13)(H,10,12)(H,15,16)
InChIKeyXDYZBGCJTTWPNT-UHFFFAOYSA-N
MW227.18 g/mol
LogP-2.26
Rot. Bonds4

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (PubChem CID 43354354) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
PubChem CID43354354
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H9N3O5/c12-5-1-2-7(14)11(10-5)4-6(13)9-3-8(15)16/h1-2H,3-4H2,(H,9,13)(H,10,12)(H,15,16)
InChIKeyXDYZBGCJTTWPNT-UHFFFAOYSA-N
XLogP-2.26
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
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
Maleoylglycine
CID 100915606
Fumaryldi-glycin
CID 91619288
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
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 10036667
2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
2-[[2-[[2-(Prop-2-enoylamino)acetyl]amino]acetyl]amino]acetic acid
CID 166766182
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
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43170711

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid (CID 43354354) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
The InChIKey is XDYZBGCJTTWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c12-5-1-2-7(14)11(10-5)4-6(13)9-3-8(15)16/h1-2H,3-4H2,(H,9,13)(H,10,12)(H,15,16).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid has a molecular weight of 227.18 g/mol, XLogP of -2.26, 4 rotatable bonds, 3 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]amino]acetic acid is sourced from PubChem (CID 43354354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).