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

C13H17N3O5 — CID 61009806

IUPAC2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H17N3O5/c17-10-4-5-11(18)16(14-10)8-12(19)15-6-2-1-3-9(15)7-13(20)21/h4-5,9H,1-3,6-8H2,(H,14,17)(H,20,21)
InChIKeyAXSGRCDMCFPHNW-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.61
Rot. Bonds4

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

2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid (PubChem CID 61009806) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid
PubChem CID61009806
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H17N3O5/c17-10-4-5-11(18)16(14-10)8-12(19)15-6-2-1-3-9(15)7-13(20)21/h4-5,9H,1-3,6-8H2,(H,14,17)(H,20,21)
InChIKeyAXSGRCDMCFPHNW-UHFFFAOYSA-N
XLogP-0.61
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid with MolForge

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Related Compounds

7-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]heptanoic acid
CID 43172044
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 43355959
2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 60956364
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371085
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azepane-2-carboxylic acid
CID 64560125
2-[1-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclopentyl]acetic acid
CID 64671033
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64815205
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 66264702
(2R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 79034829
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]hexanoic acid
CID 81981247
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104594790
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069778

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid (CID 61009806) is 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is AXSGRCDMCFPHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-4-5-11(18)16(14-10)8-12(19)15-6-2-1-3-9(15)7-13(20)21/h4-5,9H,1-3,6-8H2,(H,14,17)(H,20,21).
What are the key properties of 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 295.29 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).