2.0 2015-06-08 16:27:26 -0600 2015-08-05 16:22:05 -0600 ECMDB23897 M2MDB005657 beta-Lactam A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon 1-Nitroethane b-Lactam Nitroethan β-Lactam C2H5NO2 75.0666 75.032028409 nitroethane nitroethane CCN(=O)=O InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 MCSAJNNLRCFZED-UHFFFAOYSA-N logp 0.45 ALOGPS logs -0.44 ALOGPS solubility 2.72e+01 g/l ALOGPS logp 0.38 ChemAxon pka_strongest_acidic 8.7 ChemAxon iupac nitroethane ChemAxon average_mass 75.0666 ChemAxon mono_mass 75.032028409 ChemAxon smiles CCN(=O)=O ChemAxon formula C2H5NO2 ChemAxon inchi InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 ChemAxon inchikey MCSAJNNLRCFZED-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 17.34 ChemAxon polarizability 6.54 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Penicillin and cephalosporin biosynthesis ec00311 beta-Lactam resistance ec00312 Specdb::CMs 106219 Specdb::CMs 118385 Specdb::EiMs 1444 Specdb::NmrOneD 3580 Specdb::NmrOneD 3715 Specdb::NmrOneD 228017 Specdb::NmrOneD 228018 Specdb::NmrOneD 228019 Specdb::NmrOneD 228020 Specdb::NmrOneD 228021 Specdb::NmrOneD 228022 Specdb::NmrOneD 228023 Specdb::NmrOneD 228024 Specdb::NmrOneD 228025 Specdb::NmrOneD 228026 Specdb::NmrOneD 228027 Specdb::NmrOneD 228028 Specdb::NmrOneD 228029 Specdb::NmrOneD 228030 Specdb::NmrOneD 228031 Specdb::NmrOneD 228032 Specdb::NmrOneD 228033 Specdb::NmrOneD 228034 Specdb::NmrOneD 228035 Specdb::NmrOneD 228036 Specdb::MsMs 26939 Specdb::MsMs 26940 Specdb::MsMs 26941 Specdb::MsMs 33497 Specdb::MsMs 33498 Specdb::MsMs 33499 C01866 beta-Lactam + Water <> Substituted beta-amino acid R03743