α-methyl-D,L-tryptophan   

GtoPdb Ligand ID: 4693

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 79.11
Molecular weight 218.11
XLogP -1.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C
Isomeric SMILES OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C
InChI InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)
InChI Key ZTTWHZHBPDYSQB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid
Database Links
ChEMBL Ligand CHEMBL559578
GtoPdb PubChem SID 178101406
PubChem CID 95438
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