2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid

C15H15N3O3 — CID 175317515

IUPAC2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2NNc3ccccc32)c(O)c1
InChIInChI=1S/C15H15N3O3/c1-9(15(20)21)10-6-7-13(14(19)8-10)18-12-5-3-2-4-11(12)16-17-18/h2-9,16-17,19H,1H3,(H,20,21)
InChIKeyWOOCRLHQEZBSMY-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid

2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid (PubChem CID 175317515) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid
PubChem CID175317515
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(N2NNc3ccccc32)c(O)c1
InChIInChI=1S/C15H15N3O3/c1-9(15(20)21)10-6-7-13(14(19)8-10)18-12-5-3-2-4-11(12)16-17-18/h2-9,16-17,19H,1H3,(H,20,21)
InChIKeyWOOCRLHQEZBSMY-UHFFFAOYSA-N
XLogP2.56
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid?
The IUPAC name of 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid (CID 175317515) is 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid?
The canonical SMILES for 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid is CC(C(=O)O)c1ccc(N2NNc3ccccc32)c(O)c1.
What is the InChIKey of 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid?
The InChIKey is WOOCRLHQEZBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(15(20)21)10-6-7-13(14(19)8-10)18-12-5-3-2-4-11(12)16-17-18/h2-9,16-17,19H,1H3,(H,20,21).
What are the key properties of 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid?
2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydrobenzotriazol-1-yl)-3-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 175317515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).