(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid

C14H13N3O4 — CID 104904446

IUPAC(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccnnc1
InChIInChI=1S/C14H13N3O4/c18-11-3-1-9(2-4-11)7-12(14(20)21)17-13(19)10-5-6-15-16-8-10/h1-6,8,12,18H,7H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyUBVABKHAJRBSJU-GFCCVEGCSA-N
MW287.27 g/mol
LogP0.61
Rot. Bonds5

About (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid

(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid (PubChem CID 104904446) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid
PubChem CID104904446
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccnnc1
InChIInChI=1S/C14H13N3O4/c18-11-3-1-9(2-4-11)7-12(14(20)21)17-13(19)10-5-6-15-16-8-10/h1-6,8,12,18H,7H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyUBVABKHAJRBSJU-GFCCVEGCSA-N
XLogP0.61
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2S)-2-[(4-aminobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 12804970
2-[(4-bromobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 16773465
(2S)-2-[[4-(bromomethyl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 59127039
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 174670536
(2S)-3-(4-hydroxyphenyl)-2-(1,2,5-thiadiazole-3-carbonylamino)propanoic acid
CID 61152385
(2S)-3-(4-hydroxyphenyl)-2-[(4-nitrobenzoyl)amino]propanoic acid
CID 102317776
2-(2,1,3-benzothiadiazole-5-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 167779564
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(pyridazine-4-carbonylamino)pentanoic acid
CID 59608201
(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54193828

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid (CID 104904446) is (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid is O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccnnc1.
What is the InChIKey of (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid?
The InChIKey is UBVABKHAJRBSJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-11-3-1-9(2-4-11)7-12(14(20)21)17-13(19)10-5-6-15-16-8-10/h1-6,8,12,18H,7H2,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid?
(2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid has a molecular weight of 287.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-hydroxyphenyl)-2-(pyridazine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 104904446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).