3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid

C16H19N3O4 — CID 154867184

IUPAC3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc2cccnn12)C1CCOCC1
InChIInChI=1S/C16H19N3O4/c20-15(21)5-9-18(12-6-10-23-11-7-12)16(22)14-4-3-13-2-1-8-17-19(13)14/h1-4,8,12H,5-7,9-11H2,(H,20,21)
InChIKeyOMAPOWYXESRZRY-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.43
Rot. Bonds5

About 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid

3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid (PubChem CID 154867184) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid
PubChem CID154867184
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc2cccnn12)C1CCOCC1
InChIInChI=1S/C16H19N3O4/c20-15(21)5-9-18(12-6-10-23-11-7-12)16(22)14-4-3-13-2-1-8-17-19(13)14/h1-4,8,12H,5-7,9-11H2,(H,20,21)
InChIKeyOMAPOWYXESRZRY-UHFFFAOYSA-N
XLogP1.43
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 126793235
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
3-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212319
3-[(5-methyl-1-phenylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212253
3-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212309
3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid
CID 167765455
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
3-[oxan-4-yl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid
CID 122146451
3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 122146490
3-[(4-ethoxybenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146346
3-[oxan-4-yl-(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 126779802

Frequently Asked Questions

What is the IUPAC name of 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid (CID 154867184) is 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1ccc2cccnn12)C1CCOCC1.
What is the InChIKey of 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid?
The InChIKey is OMAPOWYXESRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-15(21)5-9-18(12-6-10-23-11-7-12)16(22)14-4-3-13-2-1-8-17-19(13)14/h1-4,8,12H,5-7,9-11H2,(H,20,21).
What are the key properties of 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid?
3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 154867184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).