1.0 2010-04-08 22:13:49 UTC 2019-11-26 03:16:24 UTC FDB018620 L-Acetopine Isolated from calluses of soybean plant and coHon (Gossypium hirsutum). L-Acetopine is found in fats and oils and pulses. Acetopine; L-form C8H16N4O4 232.237 232.11715502 5-carbamimidamido-2-[(carboxymethyl)amino]pentanoic acid 5-carbamimidamido-2-[(carboxymethyl)amino]pentanoic acid 18416-86-9 NC(=N)NCCCC(NCC(O)=O)C(O)=O InChI=1S/C8H16N4O4/c9-8(10)11-3-1-2-5(7(15)16)12-4-6(13)14/h5,12H,1-4H2,(H,13,14)(H,15,16)(H4,9,10,11) LJNDQMBPIQGDNB-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 Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboximidamides Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Fatty acids and conjugates Guanidines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboximidamide Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Guanidine Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine logp -2.71 ALOGPS logs -2.42 ALOGPS solubility 8.75e-01 g/l ALOGPS melting_point Mp 281-282° logp -5.7 ChemAxon pka_strongest_acidic 2.6 ChemAxon pka_strongest_basic 12.19 ChemAxon iupac 5-carbamimidamido-2-[(carboxymethyl)amino]pentanoic acid ChemAxon average_mass 232.237 ChemAxon mono_mass 232.11715502 ChemAxon smiles NC(=N)NCCCC(NCC(O)=O)C(O)=O ChemAxon formula C8H16N4O4 ChemAxon inchi InChI=1S/C8H16N4O4/c9-8(10)11-3-1-2-5(7(15)16)12-4-6(13)14/h5,12H,1-4H2,(H,13,14)(H,15,16)(H4,9,10,11) ChemAxon inchikey LJNDQMBPIQGDNB-UHFFFAOYSA-N ChemAxon polar_surface_area 148.53 ChemAxon refractivity 64.78 ChemAxon polarizability 22.88 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20657 Specdb::CMs 46265 Specdb::CMs 164393 Specdb::MsMs 10301 Specdb::MsMs 10302 Specdb::MsMs 10303 Specdb::MsMs 16973 Specdb::MsMs 16974 Specdb::MsMs 16975 Specdb::MsMs 2677911 Specdb::MsMs 2677912 Specdb::MsMs 2677913 Specdb::MsMs 3031169 Specdb::MsMs 3031170 Specdb::MsMs 3031171 Specdb::NmrOneD 31142 Specdb::NmrOneD 31143 Specdb::NmrOneD 31144 Specdb::NmrOneD 31145 Specdb::NmrOneD 31146 Specdb::NmrOneD 31147 Specdb::NmrOneD 31148 Specdb::NmrOneD 31149 Specdb::NmrOneD 31150 Specdb::NmrOneD 31151 Specdb::NmrOneD 31152 Specdb::NmrOneD 31153 Specdb::NmrOneD 31154 Specdb::NmrOneD 31155 Specdb::NmrOneD 31156 Specdb::NmrOneD 31157 Specdb::NmrOneD 31158 Specdb::NmrOneD 31159 Specdb::NmrOneD 31160 Specdb::NmrOneD 31161 HMDB39111 #<Reference:0x000055ce3057ae28> Fats and oils Unknown generic Pulses Unknown generic