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

C11H15N3O5 — CID 61013302

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-2-5-13(7-11(18)19)10(17)6-14-9(16)4-3-8(15)12-14/h3-4H,2,5-7H2,1H3,(H,12,15)(H,18,19)
InChIKeyZMYDPDAHUMZFBW-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.14
Rot. Bonds6

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid (PubChem CID 61013302) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid
PubChem CID61013302
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H15N3O5/c1-2-5-13(7-11(18)19)10(17)6-14-9(16)4-3-8(15)12-14/h3-4H,2,5-7H2,1H3,(H,12,15)(H,18,19)
InChIKeyZMYDPDAHUMZFBW-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.14
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
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-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
CID 19922511
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
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
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid (CID 61013302) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid is CCCN(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]-propylamino]acetic acid?
The InChIKey is ZMYDPDAHUMZFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-5-13(7-11(18)19)10(17)6-14-9(16)4-3-8(15)12-14/h3-4H,2,5-7H2,1H3,(H,12,15)(H,18,19).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -1.14, 6 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]-propylamino]acetic acid is sourced from PubChem (CID 61013302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).