2-(2-aminobenzoyl)terephthalic acid

C15H11NO5 — CID 139660056

IUPAC2-(2-aminobenzoyl)terephthalic acid
SMILESNc1ccccc1C(=O)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C15H11NO5/c16-12-4-2-1-3-10(12)13(17)11-7-8(14(18)19)5-6-9(11)15(20)21/h1-7H,16H2,(H,18,19)(H,20,21)
InChIKeyPVPBOXHASAVTBJ-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-aminobenzoyl)terephthalic acid

2-(2-aminobenzoyl)terephthalic acid (PubChem CID 139660056) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(2-aminobenzoyl)terephthalic acid.

Molecular Properties

Compound Name2-(2-aminobenzoyl)terephthalic acid
PubChem CID139660056
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name2-(2-aminobenzoyl)terephthalic acid
SMILESNc1ccccc1C(=O)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C15H11NO5/c16-12-4-2-1-3-10(12)13(17)11-7-8(14(18)19)5-6-9(11)15(20)21/h1-7H,16H2,(H,18,19)(H,20,21)
InChIKeyPVPBOXHASAVTBJ-UHFFFAOYSA-N
XLogP1.90
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminobenzoyl)terephthalic 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-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
2-(2-aminobenzoyl)-5-methylbenzoic acid
CID 83381345
benzene-1,2,4-tricarboxylic acid;3-(2,3-dicarboxybenzoyl)phthalic acid
CID 166709208
(2-aminophenyl)-phenylmethanone
CID 158207972
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
tris(2-aminoterephthalic acid);iron
CID 146020005
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzoyl)terephthalic acid?
The IUPAC name of 2-(2-aminobenzoyl)terephthalic acid (CID 139660056) is 2-(2-aminobenzoyl)terephthalic acid.
What is the SMILES notation for 2-(2-aminobenzoyl)terephthalic acid?
The canonical SMILES for 2-(2-aminobenzoyl)terephthalic acid is Nc1ccccc1C(=O)c1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-(2-aminobenzoyl)terephthalic acid?
The InChIKey is PVPBOXHASAVTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c16-12-4-2-1-3-10(12)13(17)11-7-8(14(18)19)5-6-9(11)15(20)21/h1-7H,16H2,(H,18,19)(H,20,21).
What are the key properties of 2-(2-aminobenzoyl)terephthalic acid?
2-(2-aminobenzoyl)terephthalic acid has a molecular weight of 285.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzoyl)terephthalic acid is sourced from PubChem (CID 139660056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).