1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid

C12H15N3O5 — CID 63719761

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-7-4-14(5-8(7)12(19)20)11(18)6-15-10(17)3-2-9(16)13-15/h2-3,7-8H,4-6H2,1H3,(H,13,16)(H,19,20)
InChIKeyWZVTZTMNLBGJPH-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.28
Rot. Bonds3

About 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63719761) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63719761
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1C(=O)O
InChIInChI=1S/C12H15N3O5/c1-7-4-14(5-8(7)12(19)20)11(18)6-15-10(17)3-2-9(16)13-15/h2-3,7-8H,4-6H2,1H3,(H,13,16)(H,19,20)
InChIKeyWZVTZTMNLBGJPH-UHFFFAOYSA-N
XLogP-1.28
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63719761) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1C(=O)O.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WZVTZTMNLBGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-7-4-14(5-8(7)12(19)20)11(18)6-15-10(17)3-2-9(16)13-15/h2-3,7-8H,4-6H2,1H3,(H,13,16)(H,19,20).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).