1.0 2016-09-30 22:50:11 UTC 2020-05-21 16:29:01 UTC BMDB0002031 BMDB02031 Ureidoisobutyric acid 3-((Aminocarbonyl)amino)-2-methylpropanoic acid 3-Ureidoisobutyrate beta-UBA beta-Ureidoisobutyric acid 3-((Aminocarbonyl)amino)-2-methylpropanoate 3-Ureidoisobutyric acid b-UBA Β-uba b-Ureidoisobutyrate b-Ureidoisobutyric acid beta-Ureidoisobutyrate Β-ureidoisobutyrate Β-ureidoisobutyric acid Ureidoisobutyrate 3-carbamoylamino-2-Methylpropanoate 3-carbamoylamino-2-Methylpropanoic acid DL-beta-Ureidoisobutyrate DL-beta-Ureidoisobutyric acid N-Carbamyl-amino isobutyrate N-Carbamyl-b-aminoisobutyric acid N-Carbamyl-beta-aminoisobutyric acid C5H10N2O3 146.1445 146.069142196 3-(carbamoylamino)-2-methylpropanoic acid β-ureidoisobutyric acid 2905-86-4 CC(CNC(N)=O)C(O)=O InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10) PHENTZNALBMCQD-UHFFFAOYSA-N belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Organic compounds Organic acids and derivatives Organic carbonic acids and derivatives Ureas Ureas Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Urea Aliphatic acyclic compounds ureidocarboxylic acid Solid logp -0.86 ALOGPS logs -0.50 ALOGPS logp -0.88 ChemAxon pka_strongest_acidic 4.32 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 3-(carbamoylamino)-2-methylpropanoic acid ChemAxon average_mass 146.1445 ChemAxon mono_mass 146.069142196 ChemAxon smiles CC(CNC(N)=O)C(O)=O ChemAxon formula C5H10N2O3 ChemAxon inchi InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10) ChemAxon inchikey PHENTZNALBMCQD-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 33.4 ChemAxon polarizability 13.81 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pyrimidine Metabolism SMP0087247 Specdb::CMs 16905 Specdb::CMs 38234 Specdb::MsMs 24959 Specdb::MsMs 24960 Specdb::MsMs 24961 Specdb::MsMs 31517 Specdb::MsMs 31518 Specdb::MsMs 31519 Specdb::MsMs 3608071 Specdb::MsMs 3608072 Specdb::MsMs 3608073 Specdb::MsMs 3608074 Specdb::MsMs 3608075 Specdb::MsMs 3608076 Specdb::NmrOneD 332022 Specdb::NmrOneD 332023 Specdb::NmrOneD 332024 Specdb::NmrOneD 332025 Specdb::NmrOneD 332026 Specdb::NmrOneD 332027 Specdb::NmrOneD 332028 Specdb::NmrOneD 332029 Specdb::NmrOneD 332030 Specdb::NmrOneD 332031 Specdb::NmrOneD 332032 Specdb::NmrOneD 332033 Specdb::NmrOneD 332034 Specdb::NmrOneD 332035 Specdb::NmrOneD 332036 Specdb::NmrOneD 332037 Specdb::NmrOneD 332038 Specdb::NmrOneD 332039 Specdb::NmrOneD 332040 Specdb::NmrOneD 332041 FDB030465 C05100 141172 1670 3-UREIDO-ISOBUTYRATE Evans, W. R.; Tsai, Chi Shiun; Axelrod, Bernard. Origin of b-aminoisobutyric acid in iris. Nature (London, United Kingdom) (1961), 190 809. BMDBP02873 Deaminated glutathione amidase Q32LH4 NIT1 Enzyme BMDBP03183 Dihydropyrimidinase-related protein 2 O02675 DPYSL2 Enzyme