3-amino-5-(2-formylphenyl)benzoic acid

C14H11NO3 — CID 53225105

IUPAC3-amino-5-(2-formylphenyl)benzoic acid
SMILESNc1cc(C(=O)O)cc(-c2ccccc2C=O)c1
InChIInChI=1S/C14H11NO3/c15-12-6-10(5-11(7-12)14(17)18)13-4-2-1-3-9(13)8-16/h1-8H,15H2,(H,17,18)
InChIKeyUYKDJFHCBYYYAJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.45
Rot. Bonds3

About 3-amino-5-(2-formylphenyl)benzoic acid

3-amino-5-(2-formylphenyl)benzoic acid (PubChem CID 53225105) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-5-(2-formylphenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-(2-formylphenyl)benzoic acid
PubChem CID53225105
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-amino-5-(2-formylphenyl)benzoic acid
SMILESNc1cc(C(=O)O)cc(-c2ccccc2C=O)c1
InChIInChI=1S/C14H11NO3/c15-12-6-10(5-11(7-12)14(17)18)13-4-2-1-3-9(13)8-16/h1-8H,15H2,(H,17,18)
InChIKeyUYKDJFHCBYYYAJ-UHFFFAOYSA-N
XLogP2.45
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-(2-formylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-formylphenyl)benzoic acid?
The IUPAC name of 3-amino-5-(2-formylphenyl)benzoic acid (CID 53225105) is 3-amino-5-(2-formylphenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-(2-formylphenyl)benzoic acid?
The canonical SMILES for 3-amino-5-(2-formylphenyl)benzoic acid is Nc1cc(C(=O)O)cc(-c2ccccc2C=O)c1.
What is the InChIKey of 3-amino-5-(2-formylphenyl)benzoic acid?
The InChIKey is UYKDJFHCBYYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c15-12-6-10(5-11(7-12)14(17)18)13-4-2-1-3-9(13)8-16/h1-8H,15H2,(H,17,18).
What are the key properties of 3-amino-5-(2-formylphenyl)benzoic acid?
3-amino-5-(2-formylphenyl)benzoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-formylphenyl)benzoic acid is sourced from PubChem (CID 53225105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).