2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid

C14H12N2O4 — CID 61406308

IUPAC2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
SMILESNc1ccccc1C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H12N2O4/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17)7-10(12)14(19)20/h1-7,17H,15H2,(H,16,18)(H,19,20)
InChIKeyMAMAQKLXOCROHP-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.92
Rot. Bonds3

About 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid

2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 61406308) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID61406308
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
SMILESNc1ccccc1C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H12N2O4/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17)7-10(12)14(19)20/h1-7,17H,15H2,(H,16,18)(H,19,20)
InChIKeyMAMAQKLXOCROHP-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': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
CID 107073971
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
5-amino-2-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343199
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid (CID 61406308) is 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid is Nc1ccccc1C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is MAMAQKLXOCROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17)7-10(12)14(19)20/h1-7,17H,15H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid?
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic 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 2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61406308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).