1.0 2010-04-08 22:10:15 UTC 2019-11-26 03:07:10 UTC FDB012598 L-2-Amino-3-(1-pyrazolyl)propanoic acid Amino acid present in seeds of Citrullus vulgaris (watermelon). L-2-Amino-3-(1-pyrazolyl)propanoic acid is found in fruits. 2-Amino-3-(1-pyrazolyl)propanoic acid; L-form alpha-Amino-beta-(pyrazolyl-N)propionic acid C6H9N3O2 155.1546 155.069476547 2-amino-3-(1H-pyrazol-1-yl)propanoic acid 2-amino-3-(pyrazol-1-yl)propanoic acid 2734-48-7 NC(CN1C=CC=N1)C(O)=O InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11) PIGOPELHGLPKLL-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 Aromatic heteromonocyclic compounds Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Pyrazoles Alpha-amino acid Amine Amino acid Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrazole logp -2.95 ALOGPS logs -1.17 ALOGPS solubility 1.04e+01 g/l ALOGPS melting_point Mp 243° dec. logp -3 ChemAxon pka_strongest_acidic 1.18 ChemAxon pka_strongest_basic 8.84 ChemAxon iupac 2-amino-3-(1H-pyrazol-1-yl)propanoic acid ChemAxon average_mass 155.1546 ChemAxon mono_mass 155.069476547 ChemAxon smiles NC(CN1C=CC=N1)C(O)=O ChemAxon formula C6H9N3O2 ChemAxon inchi InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11) ChemAxon inchikey PIGOPELHGLPKLL-UHFFFAOYSA-N ChemAxon polar_surface_area 81.14 ChemAxon refractivity 48.74 ChemAxon polarizability 14.83 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20331 Specdb::CMs 43790 Specdb::CMs 159930 Specdb::MsIr 6536 Specdb::MsIr 6537 Specdb::MsIr 6538 Specdb::NmrOneD 125458 Specdb::NmrOneD 125459 Specdb::NmrOneD 125460 Specdb::NmrOneD 125461 Specdb::NmrOneD 125462 Specdb::NmrOneD 125463 Specdb::NmrOneD 125464 Specdb::NmrOneD 125465 Specdb::NmrOneD 125466 Specdb::NmrOneD 125467 Specdb::NmrOneD 125468 Specdb::NmrOneD 125469 Specdb::NmrOneD 125470 Specdb::NmrOneD 125471 Specdb::NmrOneD 125472 Specdb::NmrOneD 125473 Specdb::NmrOneD 125474 Specdb::NmrOneD 125475 Specdb::NmrOneD 125476 Specdb::NmrOneD 125477 Specdb::MsMs 69948 Specdb::MsMs 69949 Specdb::MsMs 69950 Specdb::MsMs 128340 Specdb::MsMs 128341 Specdb::MsMs 128342 Specdb::MsMs 2239885 Specdb::MsMs 2402702 Specdb::MsMs 2402703 Specdb::MsMs 2402704 Specdb::MsMs 2533062 Specdb::MsMs 2533063 Specdb::MsMs 2533064 HMDB34267 #<Reference:0x000055ce31f32668> Fruits Unknown generic