2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid

C13H19N3O3 — CID 99727855

IUPAC2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid
SMILESCCn1ncc(N2CCC[C@H](CC(=O)O)C2)cc1=O
InChIInChI=1S/C13H19N3O3/c1-2-16-12(17)7-11(8-14-16)15-5-3-4-10(9-15)6-13(18)19/h7-8,10H,2-6,9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyYTQOEVQUDQYCNJ-SNVBAGLBSA-N
MW265.31 g/mol
LogP0.95
Rot. Bonds4

About 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid

2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid (PubChem CID 99727855) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid
PubChem CID99727855
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid
SMILESCCn1ncc(N2CCC[C@H](CC(=O)O)C2)cc1=O
InChIInChI=1S/C13H19N3O3/c1-2-16-12(17)7-11(8-14-16)15-5-3-4-10(9-15)6-13(18)19/h7-8,10H,2-6,9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyYTQOEVQUDQYCNJ-SNVBAGLBSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid (CID 99727855) is 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid is CCn1ncc(N2CCC[C@H](CC(=O)O)C2)cc1=O.
What is the InChIKey of 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is YTQOEVQUDQYCNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16-12(17)7-11(8-14-16)15-5-3-4-10(9-15)6-13(18)19/h7-8,10H,2-6,9H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid?
2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 99727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).