1.0 2010-04-08 22:10:23 UTC 2019-11-26 03:07:43 UTC FDB012849 L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid Isolated from seeds of Blighia sapida (akee apple). L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid is found in fruits. a-Amino-2-carboxycyclopropaneacetic acid, 8CI; L-trans-form L-CCG-I C6H9NO4 159.14 159.053157781 2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid 2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid 117857-93-9 NC(C1CC1C(O)=O)C(O)=O InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11) GZOVEPYOCJWRFC-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 homomonocyclic compounds Amino acids Carbonyl compounds Carboxylic acids Cyclopropanecarboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic homomonocyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Cyclopropanecarboxylic acid Cyclopropanecarboxylic acid or derivatives Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine logp -3.49 ALOGPS logs -0.28 ALOGPS solubility 8.28e+01 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 1.8 ChemAxon pka_strongest_basic 9.58 ChemAxon iupac 2-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid ChemAxon average_mass 159.14 ChemAxon mono_mass 159.053157781 ChemAxon smiles NC(C1CC1C(O)=O)C(O)=O ChemAxon formula C6H9NO4 ChemAxon inchi InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11) ChemAxon inchikey GZOVEPYOCJWRFC-UHFFFAOYSA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 33.93 ChemAxon polarizability 14.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9419 Specdb::MsMs 9420 Specdb::MsMs 9421 Specdb::MsMs 16091 Specdb::MsMs 16092 Specdb::MsMs 16093 Specdb::MsMs 2671344 Specdb::MsMs 2671345 Specdb::MsMs 2671346 Specdb::MsMs 3010965 Specdb::MsMs 3010966 Specdb::MsMs 3010967 Specdb::CMs 21839 Specdb::CMs 43878 Specdb::CMs 158904 Specdb::NmrOneD 126338 Specdb::NmrOneD 126339 Specdb::NmrOneD 126340 Specdb::NmrOneD 126341 Specdb::NmrOneD 126342 Specdb::NmrOneD 126343 Specdb::NmrOneD 126344 Specdb::NmrOneD 126345 Specdb::NmrOneD 126346 Specdb::NmrOneD 126347 Specdb::NmrOneD 126348 Specdb::NmrOneD 126349 Specdb::NmrOneD 126350 Specdb::NmrOneD 126351 Specdb::NmrOneD 126352 Specdb::NmrOneD 126353 Specdb::NmrOneD 126354 Specdb::NmrOneD 126355 Specdb::NmrOneD 126356 Specdb::NmrOneD 126357 HMDB34442 #<Reference:0x000055ce32aa1fd0> Fruits Unknown generic