2-[(3-carboxyphenyl)methylamino]benzoic acid

C15H13NO4 — CID 10468410

IUPAC2-[(3-carboxyphenyl)methylamino]benzoic acid
SMILESO=C(O)c1cccc(CNc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H13NO4/c17-14(18)11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyGZNKCZZVKGDGNI-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.70
Rot. Bonds5

About 2-[(3-carboxyphenyl)methylamino]benzoic acid

2-[(3-carboxyphenyl)methylamino]benzoic acid (PubChem CID 10468410) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(3-carboxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-carboxyphenyl)methylamino]benzoic acid
PubChem CID10468410
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[(3-carboxyphenyl)methylamino]benzoic acid
SMILESO=C(O)c1cccc(CNc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H13NO4/c17-14(18)11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyGZNKCZZVKGDGNI-UHFFFAOYSA-N
XLogP2.70
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-carboxyphenyl)methylamino]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

3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537
2-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526100
3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
2-[(3-propan-2-yloxyphenyl)methylamino]benzoic acid
CID 61210168
3-[(2,4,5-trimethylanilino)methyl]benzoic acid
CID 115221774
2-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 43322141
3-[(3-chloro-2-fluoroanilino)methyl]benzoic acid
CID 103236447
2-(carboxymethylamino)benzoic acid;3-(carboxymethylamino)benzoic acid
CID 70207742
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
3-[(3-chloro-2-cyanoanilino)methyl]benzoic acid
CID 62502243

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carboxyphenyl)methylamino]benzoic acid?
The IUPAC name of 2-[(3-carboxyphenyl)methylamino]benzoic acid (CID 10468410) is 2-[(3-carboxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-[(3-carboxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 2-[(3-carboxyphenyl)methylamino]benzoic acid is O=C(O)c1cccc(CNc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-carboxyphenyl)methylamino]benzoic acid?
The InChIKey is GZNKCZZVKGDGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(18)11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-carboxyphenyl)methylamino]benzoic acid?
2-[(3-carboxyphenyl)methylamino]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carboxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 10468410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).