1.0 2010-04-08 22:08:03 UTC 2020-02-24 19:10:53 UTC FDB008363 1-(Malonylamino)cyclopropanecarboxylic acid Constituent of numerous plant subspecies including wheat, tomato and sweet corn. 1-(Malonylamino)cyclopropanecarboxylic acid is found in cereals and cereal products and garden tomato. 1-((Carboxyacetyl)amino)-cyclopropanecarboxylic acid 1-(Malonylamino)cyclopropane-1-carboxylic cid 1-(Malonylamino)cyclopropanecarboxylic acid Cyclopropanecarboxylic acid, 1-((carboxyacetyl)amino)- MACC Macpca C7H9NO5 187.1501 187.048072403 1-(2-carboxyacetamido)cyclopropane-1-carboxylic acid 1-(2-carboxyacetamido)cyclopropane-1-carboxylic acid 80550-27-2 OC(=O)CC(=O)NC1(CC1)C(O)=O InChI=1S/C7H9NO5/c9-4(3-5(10)11)8-7(1-2-7)6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) QXOQNNAWFUXKMH-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-acyl-L-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic homomonocyclic compounds 1,3-dicarbonyl compounds Carboxylic acids Cyclopropanecarboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides 1,3-dicarbonyl compound Aliphatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid Cyclopropanecarboxylic acid Cyclopropanecarboxylic acid or derivatives Dicarboxylic acid or derivatives Hydrocarbon derivative N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp -0.78 ALOGPS logs -0.69 ALOGPS solubility 3.82e+01 g/l ALOGPS melting_point Mp 158-160° logp -0.74 ChemAxon pka_strongest_acidic 3.12 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 1-(2-carboxyacetamido)cyclopropane-1-carboxylic acid ChemAxon average_mass 187.1501 ChemAxon mono_mass 187.048072403 ChemAxon smiles OC(=O)CC(=O)NC1(CC1)C(O)=O ChemAxon formula C7H9NO5 ChemAxon inchi InChI=1S/C7H9NO5/c9-4(3-5(10)11)8-7(1-2-7)6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) ChemAxon inchikey QXOQNNAWFUXKMH-UHFFFAOYSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 39.04 ChemAxon polarizability 16.32 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9973 Specdb::CMs 42584 Specdb::CMs 171982 Specdb::MsIr 4850 Specdb::MsIr 4851 Specdb::MsIr 4852 Specdb::NmrOneD 165449 Specdb::NmrOneD 165450 Specdb::NmrOneD 165451 Specdb::NmrOneD 165452 Specdb::NmrOneD 165453 Specdb::NmrOneD 165454 Specdb::NmrOneD 165455 Specdb::NmrOneD 165456 Specdb::NmrOneD 165457 Specdb::NmrOneD 165458 Specdb::NmrOneD 165459 Specdb::NmrOneD 165460 Specdb::NmrOneD 165461 Specdb::NmrOneD 165462 Specdb::NmrOneD 165463 Specdb::NmrOneD 165464 Specdb::NmrOneD 165465 Specdb::NmrOneD 165466 Specdb::NmrOneD 165467 Specdb::NmrOneD 165468 Specdb::MsMs 77268 Specdb::MsMs 77269 Specdb::MsMs 77270 Specdb::MsMs 137355 Specdb::MsMs 137356 Specdb::MsMs 137357 Specdb::MsMs 2360120 Specdb::MsMs 2360121 Specdb::MsMs 2360122 Specdb::MsMs 2606353 Specdb::MsMs 2606354 Specdb::MsMs 2606355 HMDB31700 #<Reference:0x000055ce2effa648> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081