1.0 2010-04-08 22:14:57 UTC 2019-11-26 03:18:46 UTC FDB020326 L-alpha-Amino-1H-pyrrole-1-hexanoic acid Widely distributed in fresh foodstuffs, e.g. meats, fish, vegetables, nuts, and processed foods. Component of nonenzymic browning reaction models. L-alpha-Amino-1H-pyrrole-1-hexanoic acid is found in many foods, some of which are green vegetables, animal foods, fishes, and nuts. a-Amino-1H-pyrrole-1-hexanoic acid, 9CI; L-form C10H16N2O2 196.2462 196.121177766 2-amino-6-(1H-pyrrol-1-yl)hexanoic acid 2-amino-6-(pyrrol-1-yl)hexanoic acid 156539-32-1 NC(CCCCN1C=CC=C1)C(O)=O InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14) KVCPIDDKLUDCQJ-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Amino acids Amino fatty acids Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Heterocyclic fatty acids Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Substituted pyrroles Alpha-amino acid Amine Amino acid Amino fatty acid Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Fatty acid Fatty acyl Heteroaromatic compound Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Substituted pyrrole logp -0.93 ALOGPS logs -2.15 ALOGPS solubility 1.39e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 2.7 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac 2-amino-6-(1H-pyrrol-1-yl)hexanoic acid ChemAxon average_mass 196.2462 ChemAxon mono_mass 196.121177766 ChemAxon smiles NC(CCCCN1C=CC=C1)C(O)=O ChemAxon formula C10H16N2O2 ChemAxon inchi InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14) ChemAxon inchikey KVCPIDDKLUDCQJ-UHFFFAOYSA-N ChemAxon polar_surface_area 68.25 ChemAxon refractivity 53.6 ChemAxon polarizability 21.68 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9000 Specdb::MsIr 9001 Specdb::MsIr 9002 Specdb::NmrOneD 41242 Specdb::NmrOneD 41243 Specdb::NmrOneD 41244 Specdb::NmrOneD 41245 Specdb::NmrOneD 41246 Specdb::NmrOneD 41247 Specdb::NmrOneD 41248 Specdb::NmrOneD 41249 Specdb::NmrOneD 41250 Specdb::NmrOneD 41251 Specdb::NmrOneD 41252 Specdb::NmrOneD 41253 Specdb::NmrOneD 41254 Specdb::NmrOneD 41255 Specdb::NmrOneD 41256 Specdb::NmrOneD 41257 Specdb::NmrOneD 41258 Specdb::NmrOneD 41259 Specdb::NmrOneD 41260 Specdb::NmrOneD 41261 Specdb::CMs 16875 Specdb::CMs 46825 Specdb::CMs 148100 Specdb::MsMs 303283 Specdb::MsMs 303284 Specdb::MsMs 303285 Specdb::MsMs 346198 Specdb::MsMs 346199 Specdb::MsMs 346200 Specdb::MsMs 2701441 Specdb::MsMs 2701442 Specdb::MsMs 2701443 Specdb::MsMs 3007592 Specdb::MsMs 3007593 Specdb::MsMs 3007594 HMDB40551 #<Reference:0x000055ce31995ac0> Fishes Unknown generic Green vegetables Unknown generic Nuts Unknown generic