2-[(2-aminobenzoyl)-methylamino]benzoic acid

C15H14N2O3 — CID 12819851

IUPAC2-[(2-aminobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1ccccc1N)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-17(13-9-5-3-7-11(13)15(19)20)14(18)10-6-2-4-8-12(10)16/h2-9H,16H2,1H3,(H,19,20)
InChIKeyRLLKKTKSHHPOQP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.24
Rot. Bonds3

About 2-[(2-aminobenzoyl)-methylamino]benzoic acid

2-[(2-aminobenzoyl)-methylamino]benzoic acid (PubChem CID 12819851) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(2-aminobenzoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-aminobenzoyl)-methylamino]benzoic acid
PubChem CID12819851
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[(2-aminobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1ccccc1N)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O3/c1-17(13-9-5-3-7-11(13)15(19)20)14(18)10-6-2-4-8-12(10)16/h2-9H,16H2,1H3,(H,19,20)
InChIKeyRLLKKTKSHHPOQP-UHFFFAOYSA-N
XLogP2.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;azane
CID 21425790
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646
2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide
CID 118279157
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminobenzoyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(2-aminobenzoyl)-methylamino]benzoic acid (CID 12819851) is 2-[(2-aminobenzoyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-aminobenzoyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(2-aminobenzoyl)-methylamino]benzoic acid is CN(C(=O)c1ccccc1N)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-aminobenzoyl)-methylamino]benzoic acid?
The InChIKey is RLLKKTKSHHPOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(13-9-5-3-7-11(13)15(19)20)14(18)10-6-2-4-8-12(10)16/h2-9H,16H2,1H3,(H,19,20).
What are the key properties of 2-[(2-aminobenzoyl)-methylamino]benzoic acid?
2-[(2-aminobenzoyl)-methylamino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminobenzoyl)-methylamino]benzoic acid is sourced from PubChem (CID 12819851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).