2-[[3-(aminomethyl)benzoyl]amino]benzoic acid

C15H14N2O3 — CID 82546564

IUPAC2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
SMILESNCc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c16-9-10-4-3-5-11(8-10)14(18)17-13-7-2-1-6-12(13)15(19)20/h1-8H,9,16H2,(H,17,18)(H,19,20)
InChIKeyKDGWMLMYIZPCGP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.10
Rot. Bonds4

About 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid

2-[[3-(aminomethyl)benzoyl]amino]benzoic acid (PubChem CID 82546564) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
PubChem CID82546564
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
SMILESNCc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c16-9-10-4-3-5-11(8-10)14(18)17-13-7-2-1-6-12(13)15(19)20/h1-8H,9,16H2,(H,17,18)(H,19,20)
InChIKeyKDGWMLMYIZPCGP-UHFFFAOYSA-N
XLogP2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)benzoyl]amino]-5-fluorobenzoic acid
CID 82546155
2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
2-[(3-carboxyphenyl)methylamino]benzoic acid
CID 10468410
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754
2-(2,1,3-benzoselenadiazole-5-carbonylamino)benzoic acid
CID 17313158
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 120603890
3-[[3-(chloromethyl)benzoyl]amino]naphthalene-2-carboxylic acid
CID 23107838
3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
CID 82546496

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid (CID 82546564) is 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid is NCc1cccc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid?
The InChIKey is KDGWMLMYIZPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-9-10-4-3-5-11(8-10)14(18)17-13-7-2-1-6-12(13)15(19)20/h1-8H,9,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid?
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 82546564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).