3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid

C14H11NO5 — CID 70437560

IUPAC3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid
SMILESNc1cc(C(=O)c2ccccc2O)cc(C(=O)O)c1O
InChIInChI=1S/C14H11NO5/c15-10-6-7(5-9(13(10)18)14(19)20)12(17)8-3-1-2-4-11(8)16/h1-6,16,18H,15H2,(H,19,20)
InChIKeyQIOFNHMIWOMMEZ-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.61
Rot. Bonds3

About 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid

3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid (PubChem CID 70437560) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid
PubChem CID70437560
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid
SMILESNc1cc(C(=O)c2ccccc2O)cc(C(=O)O)c1O
InChIInChI=1S/C14H11NO5/c15-10-6-7(5-9(13(10)18)14(19)20)12(17)8-3-1-2-4-11(8)16/h1-6,16,18H,15H2,(H,19,20)
InChIKeyQIOFNHMIWOMMEZ-UHFFFAOYSA-N
XLogP1.61
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-hydroxybenzoic acid;2-hydroxybenzoic acid
CID 157279139
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
CID 56647959
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;hydrobromide
CID 70122828
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid?
The IUPAC name of 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid (CID 70437560) is 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid.
What is the SMILES notation for 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid?
The canonical SMILES for 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid is Nc1cc(C(=O)c2ccccc2O)cc(C(=O)O)c1O.
What is the InChIKey of 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid?
The InChIKey is QIOFNHMIWOMMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c15-10-6-7(5-9(13(10)18)14(19)20)12(17)8-3-1-2-4-11(8)16/h1-6,16,18H,15H2,(H,19,20).
What are the key properties of 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid?
3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid has a molecular weight of 273.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid is sourced from PubChem (CID 70437560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).