2.0 2015-06-04 15:16:39 -0600 2015-08-14 15:21:23 -0600 ECMDB24000 M2MDB004304 Dihydrolipoylprotein 1-Methyl-2,4-imidazolidinedione 1-Methyl-hydantoin 1-Methyldiazolidine-2,4-dione 1-Methylhydantoin Dioxy-creatinine N-Methylimidazolidine-2,4-dione C4H6N2O2 114.1026 114.042927446 1-methylimidazolidine-2,4-dione 1-methylhydantoin CN1CC(=O)NC1=O InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) RHYBFKMFHLPQPH-UHFFFAOYSA-N logp -1.20 ALOGPS logs 0.37 ALOGPS solubility 2.65e+02 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 8.94 ChemAxon pka_strongest_basic -8.5 ChemAxon iupac 1-methylimidazolidine-2,4-dione ChemAxon average_mass 114.1026 ChemAxon mono_mass 114.042927446 ChemAxon smiles CN1CC(=O)NC1=O ChemAxon formula C4H6N2O2 ChemAxon inchi InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) ChemAxon inchikey RHYBFKMFHLPQPH-UHFFFAOYSA-N ChemAxon polar_surface_area 49.41 ChemAxon refractivity 25.94 ChemAxon polarizability 10.25 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1040 Specdb::CMs 1062 Specdb::CMs 23153 Specdb::CMs 29687 Specdb::CMs 31472 Specdb::CMs 31473 Specdb::CMs 31871 Specdb::CMs 31872 Specdb::CMs 157297 Specdb::NmrOneD 1981 Specdb::NmrOneD 28502 Specdb::NmrOneD 28503 Specdb::NmrOneD 28504 Specdb::NmrOneD 28505 Specdb::NmrOneD 28506 Specdb::NmrOneD 28507 Specdb::NmrOneD 28508 Specdb::NmrOneD 28509 Specdb::NmrOneD 28510 Specdb::NmrOneD 28511 Specdb::NmrOneD 28512 Specdb::NmrOneD 28513 Specdb::NmrOneD 28514 Specdb::NmrOneD 28515 Specdb::NmrOneD 28516 Specdb::NmrOneD 28517 Specdb::NmrOneD 28518 Specdb::NmrOneD 28519 Specdb::NmrOneD 28520 Specdb::NmrOneD 28521 Specdb::MsMs 6405 Specdb::MsMs 6406 Specdb::MsMs 6407 Specdb::MsMs 6408 Specdb::MsMs 6409 Specdb::MsMs 10910 Specdb::MsMs 10911 Specdb::MsMs 10912 Specdb::MsMs 17582 Specdb::MsMs 17583 Specdb::MsMs 17584 Specdb::MsMs 438080 Specdb::MsMs 438081 Specdb::MsMs 438082 Specdb::MsMs 438083 Specdb::MsMs 438084 Specdb::MsMs 2240451 Specdb::MsMs 2241241 Specdb::MsMs 2243360 Specdb::MsMs 2664457 Specdb::MsMs 2664458 Specdb::MsMs 2664459 Specdb::MsMs 3017820 Specdb::MsMs 3017821 Specdb::MsMs 3017822 Specdb::NmrTwoD 1916 C02972 Dihydrolipoyl dehydrogenase P0A9P0 DLDH_ECOLI lpdA http://ecmdb.ca/proteins/P0A9P0.xml Aminomethyltransferase P27248 GCST_ECOLI gcvT http://ecmdb.ca/proteins/P27248.xml