1.0 2020-03-03 19:14:42 UTC 2020-04-22 15:54:51 UTC BMDB0063746 BMDB63746 Alanylalanine AA Ala-ala L-Ala-L-ala N-L-Alanyl-L-alanine Alanylalanine, (D-ala)-(L-ala)-isomer Alanylalanine, (L-ala)-(D-ala)-isomer Dialanine D-Ala-D-ala H-Ala-ala-OH Alanylalanine, (D)-isomer Alanylalanine, (L)-isomer Alanylalanine, (L-ala)-(DL-ala)-isomer Alanylalanine N-D-Alanyl-L-alanine N-L-Alanyl-D-alanine H-D-Ala-D-ala-OH Alanyl-D-alanine Di-L-alanine D-Alanyl-D-alanine D-Alanylalanine D-Alanyl-L-alanine L-Alanyl-D-alanine A-A dipeptide AA dipeptide Alanine alanine dipeptide Alanine-alanine dipeptide Alanyl-alanine L-Alanyl-L-alanine N-Alanylalanine NSC 89598 alpha-Alanylalanine α-Alanylalanine C6H12N2O3 160.1711 160.08479226 (2S)-2-[(2S)-2-aminopropanamido]propanoic acid (2S)-2-[(2S)-2-aminopropanamido]propanoic acid 1948-31-8 C[C@H](N)C(=O)N[C@@H](C)C(O)=O InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1 DEFJQIDDEAULHB-IMJSIDKUSA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alanine and derivatives Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-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 Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-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 Aliphatic acyclic compounds dipeptide logp -2.64 ALOGPS logs -0.36 ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 3.73 ChemAxon pka_strongest_basic 8.39 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]propanoic acid ChemAxon average_mass 160.1711 ChemAxon mono_mass 160.08479226 ChemAxon smiles C[C@H](N)C(=O)N[C@@H](C)C(O)=O ChemAxon formula C6H12N2O3 ChemAxon inchi InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1 ChemAxon inchikey DEFJQIDDEAULHB-IMJSIDKUSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 37.79 ChemAxon polarizability 15.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 1171 Specdb::CMs 1283 Specdb::CMs 161183 Specdb::MsMs 1329649 Specdb::MsMs 1329650 Specdb::MsMs 1329651 Specdb::MsMs 1443964 Specdb::MsMs 1443965 Specdb::MsMs 1443966 Specdb::MsMs 2230867 Specdb::MsMs 2260216 Specdb::MsMs 3222733 Specdb::MsMs 3222734 Specdb::MsMs 3222735 Specdb::MsMs 3222736 Specdb::MsMs 3222737 Specdb::MsMs 3222738 Specdb::NmrOneD 154130 Specdb::NmrOneD 154131 Specdb::NmrOneD 154132 Specdb::NmrOneD 154133 Specdb::NmrOneD 154134 Specdb::NmrOneD 154135 Specdb::NmrOneD 154136 Specdb::NmrOneD 154137 Specdb::NmrOneD 154138 Specdb::NmrOneD 154139 Specdb::NmrOneD 154140 Specdb::NmrOneD 154141 Specdb::NmrOneD 154142 Specdb::NmrOneD 154143 Specdb::NmrOneD 154144 Specdb::NmrOneD 154145 Specdb::NmrOneD 154146 Specdb::NmrOneD 154147 Specdb::NmrOneD 154148 Specdb::NmrOneD 154149 FDB003740 4588478 5484352 72816 C00017958