TL;DR: 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid (CAS 1214673-31-0) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylic acid
Also Known As: 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid, 1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylic acid, 1-METHYL-2',3',4',9'-TETRAHYDROSPIRO[PIPERIDINE-4,1'-PYRIDO[3,4-B]INDOLE]-3'-CARBOXYLIC ACID, 2',3',4',9'-tetrahydro-1-methylspiro[piperidine-4,1'-[1h]pyrido[3,4-b]indole]-3'-carboxylic acid
| Molecular Formula | C17H21N3O2 |
| Molecular Weight | 299.1634 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.1634 Da |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
| SMILES | CN1CCC2(CC1)C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 |
| InChIKey | CKYCEPDDUKCISS-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid. Following Lipinski's Rule of Five, 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid is 1214673-31-0.
The molecular formula of 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid is C17H21N3O2.
The molecular weight of 1'-methyl-2,3,4,9-tetrahydrospiro[beta-carboline-1,4'-piperidine]-3-carboxylic acid is 299.1634 g/mol.
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