2-Acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
2-acetyl-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: TimTec1_008385|2,4-Bis(trifluoromethyl)aniline|2-Acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid|BAS 00558026|SR-01000319264-1|2-Acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H- -carboline-3-carboxylic acid|2-acetyl-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid|2-Acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid|2-acetyl-1,1-dimethyl-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid|2-acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1h-b-carboline-3-carboxylic acid|2-acetyl-1,1-dimethyl-3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid|2-acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1 h-beta-carboline-3-carboxylic acid
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13174 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.13174 |
| Monoisotopic Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 367-71-5 |
|---|---|
| SMILES | CC(=O)N1C(CC2=C(C1(C)C)NC3=CC=CC=C23)C(=O)O |
| InChIKey | JOMSVTQPEFGELV-UHFFFAOYSA-N |
Product Overview
2-Acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 367-71-5), with molecular formula C16H18N2O3 and molecular weight 286.13174 g/mol. IUPAC: 2-acetyl-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid.