3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid

C14H12N2O4 — CID 63117270

IUPAC3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)c1ccccc1O
InChIInChI=1S/C14H12N2O4/c15-10-7-8(14(19)20)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,15H2,(H,16,18)(H,19,20)
InChIKeyLONIVPIBLQAWRV-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.92
Rot. Bonds3

About 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid

3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 63117270) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
PubChem CID63117270
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)c1ccccc1O
InChIInChI=1S/C14H12N2O4/c15-10-7-8(14(19)20)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,15H2,(H,16,18)(H,19,20)
InChIKeyLONIVPIBLQAWRV-UHFFFAOYSA-N
XLogP1.92
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445608
3-amino-4-[(3-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 107948835
3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80744121
3-[(2-hydroxybenzoyl)amino]-4-(pyridine-2-carbonylamino)benzoic acid
CID 154791964
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
3-amino-4-(furan-2-carbonylamino)benzoic acid
CID 63117282
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
CID 108753900
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid (CID 63117270) is 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid is Nc1cc(C(=O)O)ccc1NC(=O)c1ccccc1O.
What is the InChIKey of 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is LONIVPIBLQAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-10-7-8(14(19)20)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,15H2,(H,16,18)(H,19,20).
What are the key properties of 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid?
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 63117270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).