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

C14H12N2O5 — CID 114343199

IUPAC5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)c2cccc(O)c2O)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O5/c15-7-4-5-10(9(6-7)14(20)21)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,15H2,(H,16,19)(H,20,21)
InChIKeyFFPSFZOBAJQTDO-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.63
Rot. Bonds3

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

5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid (PubChem CID 114343199) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
PubChem CID114343199
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
SMILESNc1ccc(NC(=O)c2cccc(O)c2O)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O5/c15-7-4-5-10(9(6-7)14(20)21)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,15H2,(H,16,19)(H,20,21)
InChIKeyFFPSFZOBAJQTDO-UHFFFAOYSA-N
XLogP1.63
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
N-(4-amino-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343189
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
5-amino-2-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971032
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid (CID 114343199) is 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid is Nc1ccc(NC(=O)c2cccc(O)c2O)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
The InChIKey is FFPSFZOBAJQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c15-7-4-5-10(9(6-7)14(20)21)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,15H2,(H,16,19)(H,20,21).
What are the key properties of 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid?
5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid has a molecular weight of 288.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 114343199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).