3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid

C15H21N3O4 — CID 124683832

IUPAC3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCn1nc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1=O
InChIInChI=1S/C15H21N3O4/c1-2-18-13(19)8-7-12(16-18)15(22)17-10-4-3-5-11(17)6-9-14(20)21/h7-8,11H,2-6,9-10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyPTUADXSDYCEZMS-LLVKDONJSA-N
MW307.35 g/mol
LogP1.12
Rot. Bonds5

About 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 124683832) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID124683832
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCn1nc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1=O
InChIInChI=1S/C15H21N3O4/c1-2-18-13(19)8-7-12(16-18)15(22)17-10-4-3-5-11(17)6-9-14(20)21/h7-8,11H,2-6,9-10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyPTUADXSDYCEZMS-LLVKDONJSA-N
XLogP1.12
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 66126978
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid (CID 124683832) is 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid is CCn1nc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1=O.
What is the InChIKey of 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is PTUADXSDYCEZMS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-2-18-13(19)8-7-12(16-18)15(22)17-10-4-3-5-11(17)6-9-14(20)21/h7-8,11H,2-6,9-10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124683832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).