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

C11H13N3O5 — CID 63030583

IUPAC1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C11H13N3O5/c15-8-1-2-9(16)14(12-8)6-10(17)13-4-3-7(5-13)11(18)19/h1-2,7H,3-6H2,(H,12,15)(H,18,19)
InChIKeyBFTPBGGTQQPAHL-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.53
Rot. Bonds3

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

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030583) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63030583
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C11H13N3O5/c15-8-1-2-9(16)14(12-8)6-10(17)13-4-3-7(5-13)11(18)19/h1-2,7H,3-6H2,(H,12,15)(H,18,19)
InChIKeyBFTPBGGTQQPAHL-UHFFFAOYSA-N
XLogP-1.53
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 63030583) is 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BFTPBGGTQQPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-1-2-9(16)14(12-8)6-10(17)13-4-3-7(5-13)11(18)19/h1-2,7H,3-6H2,(H,12,15)(H,18,19).
What are the key properties of 1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.53, 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]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).