1.0 2010-04-08 22:10:14 UTC 2025-11-18 23:37:58 UTC FDB012568 2-Aminoheptanedioic acid Isolated from Ceratonia siliqua (carob). 2-Aminoheptanedioic acid is found in beverages and fruits. (+-)-2-Aminopimelic acid (2S)-2-aminoheptanedioic acid 2-amino-(+-)-Heptanedioic acid 2-amino-Heptanedioic acid 2-Aminopimelate 2-Aminopimelic Acid a-Aminopimelic acid Alpha-aminopimelic acid DL-2-Aminopimelate dl-2-Aminopimelic acid DL-2-Aminopimelic Acid(alpha-) Heptanedioic acid, 2-amino- Heptanedioic acid, 2-amino-, (+-)- C7H13NO4 175.1824 175.084457909 2-aminoheptanedioic acid 2-aminopimelic acid 3721-85-5 NC(CCCCC(O)=O)C(O)=O InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12) JUQLUIFNNFIIKC-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 Amino fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine amino dicarboxylic acid non-proteinogenic alpha-amino acid logp -3.18 ALOGPS logs -1.14 ALOGPS solubility 1.26e+01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 2.13 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac 2-aminoheptanedioic acid ChemAxon average_mass 175.1824 ChemAxon mono_mass 175.084457909 ChemAxon smiles NC(CCCCC(O)=O)C(O)=O ChemAxon formula C7H13NO4 ChemAxon inchi InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12) ChemAxon inchikey JUQLUIFNNFIIKC-UHFFFAOYSA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 40.49 ChemAxon polarizability 17.61 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6524 Specdb::MsIr 6525 Specdb::MsIr 6526 Specdb::CMs 1472 Specdb::CMs 15130 Specdb::CMs 30099 Specdb::CMs 30421 Specdb::CMs 43780 Specdb::CMs 134873 Specdb::CMs 142607 Specdb::MsMs 62541 Specdb::MsMs 62542 Specdb::MsMs 62543 Specdb::MsMs 119289 Specdb::MsMs 119290 Specdb::MsMs 119291 Specdb::MsMs 2344517 Specdb::MsMs 2344518 Specdb::MsMs 2344519 Specdb::MsMs 2591143 Specdb::MsMs 2591144 Specdb::MsMs 2591145 Specdb::NmrOneD 125318 Specdb::NmrOneD 125319 Specdb::NmrOneD 125320 Specdb::NmrOneD 125321 Specdb::NmrOneD 125322 Specdb::NmrOneD 125323 Specdb::NmrOneD 125324 Specdb::NmrOneD 125325 Specdb::NmrOneD 125326 Specdb::NmrOneD 125327 Specdb::NmrOneD 125328 Specdb::NmrOneD 125329 Specdb::NmrOneD 125330 Specdb::NmrOneD 125331 Specdb::NmrOneD 125332 Specdb::NmrOneD 125333 Specdb::NmrOneD 125334 Specdb::NmrOneD 125335 Specdb::NmrOneD 125336 Specdb::NmrOneD 125337 HMDB34252 #<Reference:0x000055ce30260670> Beverages Unknown generic Fruits Unknown generic