1.0 2010-04-08 22:09:29 UTC 2018-05-28 22:26:26 UTC FDB011144 Pyrraline Maillard production obtained by reacn. between <ht>BCS47-B</ht> and <ht>HHS42-T</ht>. 2-FHMPN 2-formyl-5-(hydroxymethyl)pyrrole-1-norleucine Pyrraline C12H18N2O4 254.2823 254.126657074 2-amino-6-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]hexanoic acid 2-amino-6-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]hexanoic acid 74509-14-1 NC(CCCCN1C(CO)=CC=C1C=O)C(O)=O InChI=1S/C12H18N2O4/c13-11(12(17)18)3-1-2-6-14-9(7-15)4-5-10(14)8-16/h4-5,7,11,16H,1-3,6,8,13H2,(H,17,18) VTYFITADLSVOAS-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 Aromatic alcohols Aryl-aldehydes Azacyclic compounds Carboxylic acids Heteroaromatic compounds Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary alcohols Substituted pyrroles Alcohol Aldehyde Alpha-amino acid Amine Amino acid Amino fatty acid Aromatic alcohol Aromatic heteromonocyclic compound Aryl-aldehyde Azacycle Carbonyl group Carboxylic acid Fatty acid Fatty acyl Heteroaromatic compound Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid 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 alcohol Primary aliphatic amine Primary amine Pyrrole Substituted pyrrole logp -1.59 ALOGPS logs -2.07 ALOGPS solubility 2.16e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 2.03 ChemAxon pka_strongest_basic 9.33 ChemAxon iupac 2-amino-6-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]hexanoic acid ChemAxon average_mass 254.2823 ChemAxon mono_mass 254.126657074 ChemAxon smiles NC(CCCCN1C(CO)=CC=C1C=O)C(O)=O ChemAxon formula C12H18N2O4 ChemAxon inchi InChI=1S/C12H18N2O4/c13-11(12(17)18)3-1-2-6-14-9(7-15)4-5-10(14)8-16/h4-5,7,11,16H,1-3,6,8,13H2,(H,17,18) ChemAxon inchikey VTYFITADLSVOAS-UHFFFAOYSA-N ChemAxon polar_surface_area 105.55 ChemAxon refractivity 66.76 ChemAxon polarizability 26.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9799 Specdb::CMs 43116 Specdb::CMs 137398 Specdb::CMs 145132 Specdb::MsMs 90348 Specdb::MsMs 90349 Specdb::MsMs 90350 Specdb::MsMs 153483 Specdb::MsMs 153484 Specdb::MsMs 153485 Specdb::MsMs 2664484 Specdb::MsMs 2664485 Specdb::MsMs 2664486 Specdb::MsMs 3017730 Specdb::MsMs 3017731 Specdb::MsMs 3017732 Specdb::NmrOneD 118318 Specdb::NmrOneD 118319 Specdb::NmrOneD 118320 Specdb::NmrOneD 118321 Specdb::NmrOneD 118322 Specdb::NmrOneD 118323 Specdb::NmrOneD 118324 Specdb::NmrOneD 118325 Specdb::NmrOneD 118326 Specdb::NmrOneD 118327 Specdb::NmrOneD 118328 Specdb::NmrOneD 118329 Specdb::NmrOneD 118330 Specdb::NmrOneD 118331 Specdb::NmrOneD 118332 Specdb::NmrOneD 118333 Specdb::NmrOneD 118334 Specdb::NmrOneD 118335 Specdb::NmrOneD 118336 Specdb::NmrOneD 118337 HMDB33143 #<Reference:0x000055ce317242c8>