4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid

C14H12N2O5 — CID 54364627

IUPAC4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
SMILESNc1ccc(C(=O)Oc2cc(N)ccc2C(=O)O)c(O)c1
InChIInChI=1S/C14H12N2O5/c15-7-1-3-9(11(17)5-7)14(20)21-12-6-8(16)2-4-10(12)13(18)19/h1-6,17H,15-16H2,(H,18,19)
InChIKeyUOXKFAJZUYTJCC-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.47
Rot. Bonds3

About 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid

4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid (PubChem CID 54364627) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
PubChem CID54364627
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
SMILESNc1ccc(C(=O)Oc2cc(N)ccc2C(=O)O)c(O)c1
InChIInChI=1S/C14H12N2O5/c15-7-1-3-9(11(17)5-7)14(20)21-12-6-8(16)2-4-10(12)13(18)19/h1-6,17H,15-16H2,(H,18,19)
InChIKeyUOXKFAJZUYTJCC-UHFFFAOYSA-N
XLogP1.47
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
CID 22723938
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
4-amino-2-(3-oxobutanoyloxy)benzoic acid
CID 70599110
5-amino-2-(4-hydroxyanthracene-1-carbonyl)oxybenzoic acid
CID 57046044

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid?
The IUPAC name of 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid (CID 54364627) is 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid?
The canonical SMILES for 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid is Nc1ccc(C(=O)Oc2cc(N)ccc2C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid?
The InChIKey is UOXKFAJZUYTJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c15-7-1-3-9(11(17)5-7)14(20)21-12-6-8(16)2-4-10(12)13(18)19/h1-6,17H,15-16H2,(H,18,19).
What are the key properties of 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid?
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid has a molecular weight of 288.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 54364627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).