Molecule ID: 15871785

IUPAC Name: 3-[(10-methyl-9H-acridine-9-carbonyl)amino]propanoic acid

Description: The molecule is a beta-alanine derivative obtained by formal condensation of the carboxy group of (10-methyl-9,10-dihydroacridin-9-yl)carboxylic acid with the amino group of beta-alanine. It has a role as a hapten. It is a member of acridines and a beta-alanine derivative.

SMILES: CN1c2ccccc2C(C(O)=NCCC(=O)O)c2ccccc21

SELFIES: [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][Branch1][C][O][=N][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C18H18N2O3/c1-20-14-8-4-2-6-12(14)17(13-7-3-5-9-15(13)20)18(23)19-11-10-16(21)22/h2-9,17H,10-11H2,1H3,(H,19,23)(H,21,22)

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 2.1