4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid

C14H12N2O4 — CID 22096985

IUPAC4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(-c2cc(N)ccc2C(=O)O)c1
InChIInChI=1S/C14H12N2O4/c15-7-1-3-9(13(17)18)11(5-7)12-6-8(16)2-4-10(12)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChIKeyAZEXOLVFCAMTBK-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.91
Rot. Bonds3

About 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid

4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid (PubChem CID 22096985) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
PubChem CID22096985
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
SMILESNc1ccc(C(=O)O)c(-c2cc(N)ccc2C(=O)O)c1
InChIInChI=1S/C14H12N2O4/c15-7-1-3-9(13(17)18)11(5-7)12-6-8(16)2-4-10(12)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChIKeyAZEXOLVFCAMTBK-UHFFFAOYSA-N
XLogP1.91
TPSA126.64 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 ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-(5-amino-2-carboxyphenyl)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

4-amino-2-(2,4-dichlorophenyl)benzoic acid
CID 162623483
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
4-amino-2-(2,5-dimethylphenyl)benzoic acid
CID 82292983
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
(5-amino-2-carboxyphenyl)mercury
CID 3029231
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
cesium 5-amino-2-carboxyphenolate
CID 23674816
CID 131855870
CID 131855870
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
4-aminobenzoic acid;4-aminophthalic acid
CID 69300442

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid?
The IUPAC name of 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid (CID 22096985) is 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid?
The canonical SMILES for 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid is Nc1ccc(C(=O)O)c(-c2cc(N)ccc2C(=O)O)c1.
What is the InChIKey of 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid?
The InChIKey is AZEXOLVFCAMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-7-1-3-9(13(17)18)11(5-7)12-6-8(16)2-4-10(12)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20).
What are the key properties of 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid?
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid is sourced from PubChem (CID 22096985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).