3-(aminomethyl)benzoic acid

C8H9NO2 — CID 506073

IUPAC3-(aminomethyl)benzoic acid
SMILESNCc1cccc(C(=O)O)c1
InChIInChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKeyGSWYUZQBLVUEPH-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.84
Rot. Bonds2

About 3-(aminomethyl)benzoic acid

3-(aminomethyl)benzoic acid (PubChem CID 506073) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(aminomethyl)benzoic acid.

Molecular Properties

Compound Name3-(aminomethyl)benzoic acid
PubChem CID506073
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-(aminomethyl)benzoic acid
SMILESNCc1cccc(C(=O)O)c1
InChIInChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKeyGSWYUZQBLVUEPH-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)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-(aminomethyl)benzoic acid?
The IUPAC name of 3-(aminomethyl)benzoic acid (CID 506073) is 3-(aminomethyl)benzoic acid.
What is the SMILES notation for 3-(aminomethyl)benzoic acid?
The canonical SMILES for 3-(aminomethyl)benzoic acid is NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(aminomethyl)benzoic acid?
The InChIKey is GSWYUZQBLVUEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11).
What are the key properties of 3-(aminomethyl)benzoic acid?
3-(aminomethyl)benzoic acid has a molecular weight of 151.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)benzoic acid is sourced from PubChem (CID 506073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).