5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid

C14H11NO6 — CID 114343235

IUPAC5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc(O)c2O)ccc1O
InChIInChI=1S/C14H11NO6/c16-10-5-4-7(6-9(10)14(20)21)15-13(19)8-2-1-3-11(17)12(8)18/h1-6,16-18H,(H,15,19)(H,20,21)
InChIKeyIKPYJRAJJBRHDE-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.75
Rot. Bonds3

About 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid

5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 114343235) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID114343235
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc(O)c2O)ccc1O
InChIInChI=1S/C14H11NO6/c16-10-5-4-7(6-9(10)14(20)21)15-13(19)8-2-1-3-11(17)12(8)18/h1-6,16-18H,(H,15,19)(H,20,21)
InChIKeyIKPYJRAJJBRHDE-UHFFFAOYSA-N
XLogP1.75
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid (CID 114343235) is 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2cccc(O)c2O)ccc1O.
What is the InChIKey of 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is IKPYJRAJJBRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c16-10-5-4-7(6-9(10)14(20)21)15-13(19)8-2-1-3-11(17)12(8)18/h1-6,16-18H,(H,15,19)(H,20,21).
What are the key properties of 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 289.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 114343235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).