2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid

C11H13N3O5 — CID 66420769

IUPAC2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc(=O)[nH]n2)CCO1
InChIInChI=1S/C11H13N3O5/c15-9-2-1-8(12-13-9)11(18)14-3-4-19-7(6-14)5-10(16)17/h1-2,7H,3-6H2,(H,13,15)(H,16,17)
InChIKeyLQBQAIPEMNPPRQ-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.91
Rot. Bonds3

About 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66420769) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66420769
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc(=O)[nH]n2)CCO1
InChIInChI=1S/C11H13N3O5/c15-9-2-1-8(12-13-9)11(18)14-3-4-19-7(6-14)5-10(16)17/h1-2,7H,3-6H2,(H,13,15)(H,16,17)
InChIKeyLQBQAIPEMNPPRQ-UHFFFAOYSA-N
XLogP-0.91
TPSA112.59 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 ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic 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 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid (CID 66420769) is 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ccc(=O)[nH]n2)CCO1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is LQBQAIPEMNPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-9-2-1-8(12-13-9)11(18)14-3-4-19-7(6-14)5-10(16)17/h1-2,7H,3-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyridazine-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66420769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).