1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:03 UTC FDB010733 N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine Constituent of the shoots of apple and pear trees. N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is found in pomes. N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine C12H20N4O8 348.3092 348.128113636 5-carbamimidamido-2-[3-carboxy-2-hydroxy-2-(methoxycarbonyl)propanamido]pentanoic acid 5-carbamimidamido-2-[3-carboxy-2-hydroxy-2-(methoxycarbonyl)propanamido]pentanoic acid 87605-91-2 COC(=O)C(O)(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(O)=O InChI=1S/C12H20N4O8/c1-24-10(22)12(23,5-7(17)18)9(21)16-6(8(19)20)3-2-4-15-11(13)14/h6,23H,2-5H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H4,13,14,15) VFYGIOOMURRJLU-UHFFFAOYSA-N belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Arginine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Fatty acid esters Guanidines Hydrocarbon derivatives Imines Methyl esters N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tertiary alcohols Tricarboxylic acids and derivatives Alcohol Aliphatic acyclic compound Arginine or derivatives Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Carboxylic acid ester Fatty acid ester Fatty acyl Fatty amide Guanidine Hydrocarbon derivative Imine Methyl ester N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Tertiary alcohol Tricarboxylic acid or derivatives logp -1.94 ALOGPS logs -2.66 ALOGPS solubility 7.65e-01 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 3.03 ChemAxon pka_strongest_basic 11.98 ChemAxon iupac 5-carbamimidamido-2-[3-carboxy-2-hydroxy-2-(methoxycarbonyl)propanamido]pentanoic acid ChemAxon average_mass 348.3092 ChemAxon mono_mass 348.128113636 ChemAxon smiles COC(=O)C(O)(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(O)=O ChemAxon formula C12H20N4O8 ChemAxon inchi InChI=1S/C12H20N4O8/c1-24-10(22)12(23,5-7(17)18)9(21)16-6(8(19)20)3-2-4-15-11(13)14/h6,23H,2-5H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H4,13,14,15) ChemAxon inchikey VFYGIOOMURRJLU-UHFFFAOYSA-N ChemAxon polar_surface_area 212.13 ChemAxon refractivity 86.57 ChemAxon polarizability 32.33 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15432 Specdb::CMs 42952 Specdb::CMs 131095 Specdb::CMs 138829 Specdb::NmrOneD 115058 Specdb::NmrOneD 115059 Specdb::NmrOneD 115060 Specdb::NmrOneD 115061 Specdb::NmrOneD 115062 Specdb::NmrOneD 115063 Specdb::NmrOneD 115064 Specdb::NmrOneD 115065 Specdb::NmrOneD 115066 Specdb::NmrOneD 115067 Specdb::NmrOneD 115068 Specdb::NmrOneD 115069 Specdb::NmrOneD 115070 Specdb::NmrOneD 115071 Specdb::NmrOneD 115072 Specdb::NmrOneD 115073 Specdb::NmrOneD 115074 Specdb::NmrOneD 115075 Specdb::NmrOneD 115076 Specdb::NmrOneD 115077 Specdb::MsMs 76254 Specdb::MsMs 76255 Specdb::MsMs 76256 Specdb::MsMs 136047 Specdb::MsMs 136048 Specdb::MsMs 136049 Specdb::MsMs 2839266 Specdb::MsMs 2839267 Specdb::MsMs 2839268 Specdb::MsMs 2870351 Specdb::MsMs 2870352 Specdb::MsMs 2870353 HMDB32766 #<Reference:0x000055ce317ef928> Pomes Unknown generic