TL;DR: n-Methyl-d-tryptophan (CAS 1286275-84-0) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
Also Known As: n-methyl-d-tryptophan, Abrine, D-Abrine, methyl-d-tryptophan, (2R)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CN[C@H](CC1=CNC2=CC=CC=C21)C(=O)O |
| InChIKey | CZCIKBSVHDNIDH-LLVKDONJSA-N |
The XLogP value of -0.5 indicates that n-Methyl-d-tryptophan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Methyl-d-tryptophan. Following Lipinski's Rule of Five, n-Methyl-d-tryptophan has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of n-Methyl-d-tryptophan is 1286275-84-0.
The molecular formula of n-Methyl-d-tryptophan is C12H14N2O2.
The molecular weight of n-Methyl-d-tryptophan is 218.10553 g/mol.
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