1.0 2016-09-30 22:42:39 UTC 2020-04-22 15:07:09 UTC BMDB0001212 BMDB01212 Hydantoin-5-propionic acid Hydantoin-propionate Hydantoin-propionic acid Hydantoin-5-propionate 1-(2,4-(3H,5H)Imidazoledione)propionic acid Hydantoin-5-propionic acid C6H8N2O4 172.1387 172.048406754 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid hydantoin-5-propionic acid 5624-26-0 OC(=O)CCC1NC(=O)NC1=O InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12) VWFWNXQAMGDPGG-UHFFFAOYSA-N belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. Organic compounds Organoheterocyclic compounds Azolidines Imidazolidines Hydantoins 5-monosubstituted hydantoins Alpha amino acids and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboximides Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl ureas Organic oxides Organonitrogen compounds Organopnictogen compounds 5-monosubstituted hydantoin Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Azacycle Carbonic acid derivative Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboximide Hydantoin Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl urea Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Urea Ureide Aliphatic heteromonocyclic compounds imidazolidine-2,4-dione monocarboxylic acid Solid logp -1.44 ALOGPS logs -1.36 ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 3.92 ChemAxon pka_strongest_basic -8.2 ChemAxon iupac 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid ChemAxon average_mass 172.1387 ChemAxon mono_mass 172.048406754 ChemAxon smiles OC(=O)CCC1NC(=O)NC1=O ChemAxon formula C6H8N2O4 ChemAxon inchi InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12) ChemAxon inchikey VWFWNXQAMGDPGG-UHFFFAOYSA-N ChemAxon polar_surface_area 95.5 ChemAxon refractivity 36.33 ChemAxon polarizability 15.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 316420 Specdb::MsMs 316421 Specdb::MsMs 316422 Specdb::MsMs 362680 Specdb::MsMs 362681 Specdb::MsMs 362682 Specdb::MsMs 2462020 Specdb::MsMs 2462021 Specdb::MsMs 2462022 Specdb::MsMs 2500046 Specdb::MsMs 2500047 Specdb::MsMs 2500048 Specdb::MsIr 1133 Specdb::MsIr 1134 Specdb::MsIr 1135 Specdb::CMs 1593 Specdb::CMs 1666 Specdb::CMs 22703 Specdb::CMs 31292 Specdb::CMs 31293 Specdb::CMs 37977 Specdb::CMs 164280 Specdb::NmrOneD 87532 Specdb::NmrOneD 87533 Specdb::NmrOneD 87534 Specdb::NmrOneD 87535 Specdb::NmrOneD 87536 Specdb::NmrOneD 87537 Specdb::NmrOneD 87538 Specdb::NmrOneD 87539 Specdb::NmrOneD 87540 Specdb::NmrOneD 87541 Specdb::NmrOneD 87542 Specdb::NmrOneD 87543 Specdb::NmrOneD 87544 Specdb::NmrOneD 87545 Specdb::NmrOneD 87546 Specdb::NmrOneD 87547 Specdb::NmrOneD 87548 Specdb::NmrOneD 87549 Specdb::NmrOneD 87550 Specdb::NmrOneD 87551 C05565 FDB022493 761 782 28297 HYDANTOIN-5-PROPIONATE 6084 Hassall, H.; Greenberg, D. M. Preparation of carbamylglutamic acid and hydantoin-5-propionic acid. Methods Enzymol. (1971), 17(Pt. B), 95-6.