4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid

C15H15N3O3 — CID 137350178

IUPAC4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid
SMILESNCCc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+
InChIKeyDJIUQBSMFISUJY-ISLYRVAYSA-N
MW285.30 g/mol
LogP3.01
Rot. Bonds5

About 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid

4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid (PubChem CID 137350178) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid
PubChem CID137350178
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid
SMILESNCCc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+
InChIKeyDJIUQBSMFISUJY-ISLYRVAYSA-N
XLogP3.01
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
1-[4-[(5-hexyl-2-hydroxyphenyl)diazenyl]phenyl]ethanone
CID 147004042
4-[[5-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethyl]-2-hydroxyphenyl]diazenyl]benzoic acid
CID 146433512
4-(2-aminoethyl)benzoic acid;hydron;chloride
CID 56844303
4-[[2-hydroxy-5-[2-(triazol-1-yl)ethyl]phenyl]diazenyl]benzamide
CID 139212617
tert-butyl N-[2-[3-[[4-[3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]diazenyl]-4-hydroxyphenyl]ethyl]carbamate
CID 139444760
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
4-(2-aminoethyl)benzoic acid;aniline
CID 159090875
4-[2-[4,5-dihydroxy-2-[2-(3,4,5-trihydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715552
4-[[4-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-2-hydroxyphenyl]diazenyl]benzoic acid
CID 162078020

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid?
The IUPAC name of 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid (CID 137350178) is 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid.
What is the SMILES notation for 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid?
The canonical SMILES for 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid is NCCc1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid?
The InChIKey is DJIUQBSMFISUJY-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+.
What are the key properties of 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid?
4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid is sourced from PubChem (CID 137350178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).