2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid

C14H12N2O4 — CID 16475

IUPAC2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid
SMILESNc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1C(=O)O
InChIInChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChIKeyIIQLVLWFQUUZII-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid

2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid (PubChem CID 16475) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid
PubChem CID16475
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid
SMILESNc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1C(=O)O
InChIInChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChIKeyIIQLVLWFQUUZII-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid?
The IUPAC name of 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid (CID 16475) is 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid?
The canonical SMILES for 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid is Nc1ccc(-c2ccc(N)c(C(=O)O)c2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid?
The InChIKey is IIQLVLWFQUUZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20).
What are the key properties of 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid?
2-amino-5-(4-amino-3-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 2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid is sourced from PubChem (CID 16475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).