3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid

C11H11N3O3 — CID 82369403

IUPAC3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(-c2cccc(O)c2)nn1
InChIInChI=1S/C11H11N3O3/c15-10-3-1-2-9(6-10)14-7-8(12-13-14)4-5-11(16)17/h1-3,6-7,15H,4-5H2,(H,16,17)
InChIKeyZYUNUITWECTCED-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.99
Rot. Bonds4

About 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid

3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid (PubChem CID 82369403) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid
PubChem CID82369403
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cn(-c2cccc(O)c2)nn1
InChIInChI=1S/C11H11N3O3/c15-10-3-1-2-9(6-10)14-7-8(12-13-14)4-5-11(16)17/h1-3,6-7,15H,4-5H2,(H,16,17)
InChIKeyZYUNUITWECTCED-UHFFFAOYSA-N
XLogP0.99
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenyltriazol-4-yl)propanoic acid
CID 15619013
3-[1-(3-iodophenyl)triazol-4-yl]propanoic acid
CID 107460450
3-[1-(3-cyanophenyl)triazol-4-yl]propanoic acid
CID 82369420
3-[1-(3,5-dichlorophenyl)triazol-4-yl]propanoic acid
CID 82369407
3-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]propanoic acid
CID 107613372
3-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]propanoic acid
CID 107460544
3-(1-pyrimidin-5-yltriazol-4-yl)propanoic acid
CID 107588962
3-[1-(4-acetylphenyl)triazol-4-yl]propanoic acid
CID 82369393
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]propanoic acid
CID 107460460
3-[1-(3-chloro-4-nitrophenyl)triazol-4-yl]propanoic acid
CID 107460537
3-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]propanoic acid
CID 82369417
3-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]propanoic acid
CID 82369441

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid (CID 82369403) is 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid is O=C(O)CCc1cn(-c2cccc(O)c2)nn1.
What is the InChIKey of 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid?
The InChIKey is ZYUNUITWECTCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10-3-1-2-9(6-10)14-7-8(12-13-14)4-5-11(16)17/h1-3,6-7,15H,4-5H2,(H,16,17).
What are the key properties of 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid?
3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxyphenyl)triazol-4-yl]propanoic acid is sourced from PubChem (CID 82369403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).