N,N-Dimethyl-L-tryptophan Hydrochloride
PubChem CID: 13946332
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N,N-Dimethyltryptophan Hydrochloride, N,N-Dimethyl-L-tryptophan Hydrochloride, 2253893-37-5, N,N-dimethyltryptophan, SCHEMBL3855614 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 56.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | CN[C@H]C=O)O))Ccc[nH]cc5cccc6)))))))))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Indolyl carboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H16N2O2 |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | SOSHNYKNINOSTB-LBPRGKRZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | n,n-dimethyltryptophan |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CN(C)C, c[nH]c |
| Compound Name | N,N-Dimethyl-L-tryptophan Hydrochloride |
| Exact Mass | 232.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 232.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H16N2O2/c1-15(2)12(13(16)17)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14H,7H2,1-2H3,(H,16,17)/t12-/m0/s1 |
| Smiles | CN(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Triflorum (Plant) Rel Props:Reference:ISBN:9788185042084