1.0 2010-04-08 22:09:44 UTC 2015-07-20 22:41:53 UTC FDB011623 (±)-6-Chlorotryptophan Sweetening agent, sweetness 1300x sucrose 6-chloro-DL-Tryptophan 6-chloro-Tryptophan 6-chlorotryptophan DL-Tryptophan, 6-chloro- Tryptophan, 6-chloro- C11H11ClN2O2 238.67 238.050905313 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid 17808-21-8 NC(CC1=CNC2=C1C=CC(Cl)=C2)C(O)=O InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16) FICLVQOYKYBXFN-UHFFFAOYSA-N belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolyl carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Alpha amino acids Amino acids Aralkylamines Aryl chlorides Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Substituted pyrroles 3-alkylindole Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Indole Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Substituted pyrrole logp -0.49 ALOGPS logs -2.60 ALOGPS solubility 6.00e-01 g/l ALOGPS melting_point Mp 278 dec. (285-286°) logp -0.48 ChemAxon pka_strongest_acidic 2.11 ChemAxon pka_strongest_basic 9.4 ChemAxon iupac 2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid ChemAxon average_mass 238.67 ChemAxon mono_mass 238.050905313 ChemAxon smiles NC(CC1=CNC2=C1C=CC(Cl)=C2)C(O)=O ChemAxon formula C11H11ClN2O2 ChemAxon inchi InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16) ChemAxon inchikey FICLVQOYKYBXFN-UHFFFAOYSA-N ChemAxon polar_surface_area 79.11 ChemAxon refractivity 61.01 ChemAxon polarizability 23.64 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12051 Specdb::CMs 43359 Specdb::CMs 119744 Specdb::CMs 136617 Specdb::CMs 144351 Specdb::CMs 827386 Specdb::CMs 827387 Specdb::CMs 827388 Specdb::CMs 827389 Specdb::CMs 827390 Specdb::NmrOneD 120618 Specdb::NmrOneD 120619 Specdb::NmrOneD 120620 Specdb::NmrOneD 120621 Specdb::NmrOneD 120622 Specdb::NmrOneD 120623 Specdb::NmrOneD 120624 Specdb::NmrOneD 120625 Specdb::NmrOneD 120626 Specdb::NmrOneD 120627 Specdb::NmrOneD 120628 Specdb::NmrOneD 120629 Specdb::NmrOneD 120630 Specdb::NmrOneD 120631 Specdb::NmrOneD 120632 Specdb::NmrOneD 120633 Specdb::NmrOneD 120634 Specdb::NmrOneD 120635 Specdb::NmrOneD 120636 Specdb::NmrOneD 120637 Specdb::MsMs 89181 Specdb::MsMs 89182 Specdb::MsMs 89183 Specdb::MsMs 152046 Specdb::MsMs 152047 Specdb::MsMs 152048 Specdb::MsMs 2335861 Specdb::MsMs 2335862 Specdb::MsMs 2335863 Specdb::MsMs 2629463 Specdb::MsMs 2629464 Specdb::MsMs 2629465 HMDB33557 #<Reference:0x000055ce3284e058>