1.0 2010-04-08 22:09:16 UTC 2025-11-18 23:21:46 UTC FDB010730 N2-Oxalylarginine Constituent of the shoots of apple and pear trees (Malus subspecies). N2-Oxalylarginine is found in malus (crab apple) and pomes. N2-Oxalylarginine C8H14N4O5 246.2206 246.096419578 5-carbamimidamido-2-(carboxyformamido)pentanoic acid 5-carbamimidamido-2-(carboxyformamido)pentanoic acid 90250-86-5 NC(=N)NCCCC(NC(=O)C(O)=O)C(O)=O InChI=1S/C8H14N4O5/c9-8(10)11-3-1-2-4(6(14)15)12-5(13)7(16)17/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H4,9,10,11) INOVTBRJCBIPOS-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 Dicarboxylic acids and derivatives Fatty acids and conjugates Guanidines Hydrocarbon derivatives Imines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Arginine or derivatives Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Guanidine Hydrocarbon derivative Imine N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp -1.50 ALOGPS logs -2.67 ALOGPS solubility 5.31e-01 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 2.31 ChemAxon pka_strongest_basic 12.14 ChemAxon iupac 5-carbamimidamido-2-(carboxyformamido)pentanoic acid ChemAxon average_mass 246.2206 ChemAxon mono_mass 246.096419578 ChemAxon smiles NC(=N)NCCCC(NC(=O)C(O)=O)C(O)=O ChemAxon formula C8H14N4O5 ChemAxon inchi InChI=1S/C8H14N4O5/c9-8(10)11-3-1-2-4(6(14)15)12-5(13)7(16)17/h4H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H4,9,10,11) ChemAxon inchikey INOVTBRJCBIPOS-UHFFFAOYSA-N ChemAxon polar_surface_area 165.6 ChemAxon refractivity 65.16 ChemAxon polarizability 22.91 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15441 Specdb::CMs 42949 Specdb::CMs 164704 Specdb::NmrOneD 114998 Specdb::NmrOneD 114999 Specdb::NmrOneD 115000 Specdb::NmrOneD 115001 Specdb::NmrOneD 115002 Specdb::NmrOneD 115003 Specdb::NmrOneD 115004 Specdb::NmrOneD 115005 Specdb::NmrOneD 115006 Specdb::NmrOneD 115007 Specdb::NmrOneD 115008 Specdb::NmrOneD 115009 Specdb::NmrOneD 115010 Specdb::NmrOneD 115011 Specdb::NmrOneD 115012 Specdb::NmrOneD 115013 Specdb::NmrOneD 115014 Specdb::NmrOneD 115015 Specdb::NmrOneD 115016 Specdb::NmrOneD 115017 Specdb::MsMs 103920 Specdb::MsMs 103921 Specdb::MsMs 103922 Specdb::MsMs 170088 Specdb::MsMs 170089 Specdb::MsMs 170090 Specdb::MsMs 2659393 Specdb::MsMs 2659394 Specdb::MsMs 2659395 Specdb::MsMs 3019329 Specdb::MsMs 3019330 Specdb::MsMs 3019331 HMDB32763 #<Reference:0x000055ce32813188> Malus (Crab apple) Type 1 specific Malus 3749 Pomes Unknown generic