1.0 2020-04-03 16:42:40 UTC 2025-11-19 03:08:13 UTC FDB098187 Alanyl-Aspartic acid C7H12N2O5 204.1806 204.074621504 2-[(2-amino-1-hydroxypropylidene)amino]butanedioic acid 2-[(2-amino-1-hydroxypropylidene)amino]butanedioic acid CC(N)C(O)=NC(CC(O)=O)C(O)=O InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14) XAEWTDMGFGHWFK-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alanine and derivatives Alpha amino acid amides Amino acids Aspartic acid and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alanine or derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aspartic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative 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 Primary aliphatic amine Primary amine Secondary carboxylic acid amide logp -3.41 ALOGPS logs -1.32 ALOGPS solubility 9.77e+00 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 3.08 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac 2-[(2-amino-1-hydroxypropylidene)amino]butanedioic acid ChemAxon average_mass 204.1806 ChemAxon mono_mass 204.074621504 ChemAxon smiles CC(N)C(O)=NC(CC(O)=O)C(O)=O ChemAxon formula C7H12N2O5 ChemAxon inchi InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14) ChemAxon inchikey XAEWTDMGFGHWFK-UHFFFAOYSA-N ChemAxon polar_surface_area 133.21 ChemAxon refractivity 44.35 ChemAxon polarizability 18.58 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19084 Specdb::CMs 40777 Specdb::MsMs 308389 Specdb::MsMs 308390 Specdb::MsMs 308391 Specdb::MsMs 352552 Specdb::MsMs 352553 Specdb::MsMs 352554 Specdb::MsMs 3610543 Specdb::MsMs 3610544 Specdb::MsMs 3610545 Specdb::MsMs 3610546 Specdb::MsMs 3610547 Specdb::MsMs 3610548 HMDB0028683 Milk (Cow) Type 2 specific