3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid

C14H13N3O3 — CID 115909603

IUPAC3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccnnc1
InChIInChI=1S/C14H13N3O3/c18-13(11-6-7-15-16-9-11)17-12(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,17,18)(H,19,20)
InChIKeyORWPPTVSLTWVCL-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.90
Rot. Bonds5

About 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid

3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid (PubChem CID 115909603) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
PubChem CID115909603
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1ccnnc1
InChIInChI=1S/C14H13N3O3/c18-13(11-6-7-15-16-9-11)17-12(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,17,18)(H,19,20)
InChIKeyORWPPTVSLTWVCL-UHFFFAOYSA-N
XLogP0.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid
CID 104904446
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(pyridazine-4-carbonylamino)pentanoic acid
CID 59608201
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
(2R)-2-[[4-[(E)-2-[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]ethenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 91827493
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2S)-2-[[4-[(dibenzylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 72545523
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
2-(1,3-oxazole-5-carbonylamino)-3-phenylpropanoic acid
CID 132649521
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid (CID 115909603) is 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1ccnnc1.
What is the InChIKey of 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid?
The InChIKey is ORWPPTVSLTWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(11-6-7-15-16-9-11)17-12(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid?
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid has a molecular weight of 271.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 115909603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).