2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid

C11H15N3O3 — CID 99727851

IUPAC2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C11H15N3O3/c15-10-5-9(6-12-13-10)14-3-1-2-8(7-14)4-11(16)17/h5-6,8H,1-4,7H2,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyAVGDOQYUXKNAKG-MRVPVSSYSA-N
MW237.26 g/mol
LogP0.46
Rot. Bonds3

About 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid

2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid (PubChem CID 99727851) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid
PubChem CID99727851
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C11H15N3O3/c15-10-5-9(6-12-13-10)14-3-1-2-8(7-14)4-11(16)17/h5-6,8H,1-4,7H2,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyAVGDOQYUXKNAKG-MRVPVSSYSA-N
XLogP0.46
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid (CID 99727851) is 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid is O=C(O)C[C@H]1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is AVGDOQYUXKNAKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-5-9(6-12-13-10)14-3-1-2-8(7-14)4-11(16)17/h5-6,8H,1-4,7H2,(H,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid?
2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 99727851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).