1.0 2026-09-21 14:13:21 UTC 2026-09-21 14:13:21 UTC FDB116567 ectoine (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid C6H10N2O2 142.1558 142.074227574 (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid ectoine CC1=NCC[C@H](N1)C(O)=O InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 WQXNXVUDBPYKBA-YFKPBYRVSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxamidines Carboximidamides Carboxylic acids Hydrocarbon derivatives Hydropyrimidine carboxylic acids and derivatives Imidolactams Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 1,4,5,6-tetrahydropyrimidine Aliphatic heteromonocyclic compound Amidine Azacycle Carbonyl group Carboximidamide Carboxylic acid Carboxylic acid amidine Hydrocarbon derivative Hydropyrimidine Hydropyrimidine carboxylic acid derivative Imidolactam L-alpha-amino acid Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound 1,4,5,6-tetrahydropyrimidines carboxamidine monocarboxylic acid logp -0.23 ALOGPS logs -1.14 ALOGPS solubility 1.03e+01 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 2.75 ChemAxon pka_strongest_basic 10.53 ChemAxon iupac (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid ChemAxon average_mass 142.1558 ChemAxon mono_mass 142.074227574 ChemAxon smiles CC1=NCC[C@H](N1)C(O)=O ChemAxon formula C6H10N2O2 ChemAxon inchi InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 ChemAxon inchikey WQXNXVUDBPYKBA-YFKPBYRVSA-N ChemAxon polar_surface_area 61.69 ChemAxon refractivity 35.04 ChemAxon polarizability 14.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 148932 Specdb::MsMs 2244430 Specdb::MsMs 2245664 Specdb::MsMs 2440840 Specdb::MsMs 2440841 Specdb::MsMs 2440842 Specdb::MsMs 2525652 Specdb::MsMs 2525653 Specdb::MsMs 2525654 Specdb::NmrOneD 75992 Specdb::NmrOneD 75993 Specdb::NmrOneD 75994 Specdb::NmrOneD 75995 Specdb::NmrOneD 75996 Specdb::NmrOneD 75997 Specdb::NmrOneD 75998 Specdb::NmrOneD 75999 Specdb::NmrOneD 76000 Specdb::NmrOneD 76001 Specdb::NmrOneD 76002 Specdb::NmrOneD 76003 Specdb::NmrOneD 76004 Specdb::NmrOneD 76005 Specdb::NmrOneD 76006 Specdb::NmrOneD 76007 Specdb::NmrOneD 76008 Specdb::NmrOneD 76009 Specdb::NmrOneD 76010 Specdb::NmrOneD 76011