3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid

C15H13F2N3O4 — CID 154795855

IUPAC3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C15H13F2N3O4/c1-24-13-5-4-11(19-20-13)15(23)18-12(7-14(21)22)9-3-2-8(16)6-10(9)17/h2-6,12H,7H2,1H3,(H,18,23)(H,21,22)
InChIKeyYKKPEVOPVNRXRM-UHFFFAOYSA-N
MW337.28 g/mol
LogP1.71
Rot. Bonds6

About 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid

3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 154795855) has the molecular formula C15H13F2N3O4 and a molecular weight of 337.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
PubChem CID154795855
Molecular FormulaC15H13F2N3O4
Molecular Weight337.28 g/mol
Exact Mass337.09
IUPAC Name3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C15H13F2N3O4/c1-24-13-5-4-11(19-20-13)15(23)18-12(7-14(21)22)9-3-2-8(16)6-10(9)17/h2-6,12H,7H2,1H3,(H,18,23)(H,21,22)
InChIKeyYKKPEVOPVNRXRM-UHFFFAOYSA-N
XLogP1.71
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid (CID 154795855) is 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid is COc1ccc(C(=O)NC(CC(=O)O)c2ccc(F)cc2F)nn1.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is YKKPEVOPVNRXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O4/c1-24-13-5-4-11(19-20-13)15(23)18-12(7-14(21)22)9-3-2-8(16)6-10(9)17/h2-6,12H,7H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid?
3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 337.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 154795855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).