1.0 2016-09-30 22:33:15 UTC 2020-04-22 15:04:19 UTC BMDB0000590 BMDB00590 Glutarylglycine 5-[(Carboxymethyl)amino]-5-oxo-pentanoate 5-[(Carboxymethyl)amino]-5-oxo-pentanoic acid N-(Carboxymethyl)-glutaramic acid 4-[(Carboxymethyl)-C-hydroxycarbonimidoyl]butanoate C7H11NO5 189.1659 189.063722467 4-[(carboxymethyl)carbamoyl]butanoic acid 4-(carboxymethylcarbamoyl)butanoic acid 17686-38-3 OC(=O)CCCC(=O)NCC(O)=O InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13) NBLKTRLPZFCMJG-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp -0.82 ALOGPS logs -1.18 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.47 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 4-[(carboxymethyl)carbamoyl]butanoic acid ChemAxon average_mass 189.1659 ChemAxon mono_mass 189.063722467 ChemAxon smiles OC(=O)CCCC(=O)NCC(O)=O ChemAxon formula C7H11NO5 ChemAxon inchi InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13) ChemAxon inchikey NBLKTRLPZFCMJG-UHFFFAOYSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 40.94 ChemAxon polarizability 17.68 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 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 Specdb::NmrTwoD 1377 Specdb::MsIr 655 Specdb::MsIr 656 Specdb::MsIr 657 Specdb::CMs 14247 Specdb::CMs 37640 Specdb::CMs 151968 Specdb::CMs 1069262 Specdb::CMs 1069264 Specdb::CMs 1069265 Specdb::CMs 1069267 Specdb::CMs 1069269 Specdb::CMs 1069271 Specdb::CMs 1069273 Specdb::CMs 1069275 Specdb::CMs 1069277 Specdb::CMs 1069278 Specdb::CMs 1069280 Specdb::MsMs 813 Specdb::MsMs 814 Specdb::MsMs 815 Specdb::MsMs 297427 Specdb::MsMs 297428 Specdb::MsMs 297429 Specdb::MsMs 338959 Specdb::MsMs 338960 Specdb::MsMs 338961 Specdb::MsMs 2422878 Specdb::MsMs 2422879 Specdb::MsMs 2422880 Specdb::MsMs 2513066 Specdb::MsMs 2513067 Specdb::MsMs 2513068 Specdb::NmrOneD 1432 Specdb::NmrOneD 144490 Specdb::NmrOneD 144491 Specdb::NmrOneD 144492 Specdb::NmrOneD 144493 Specdb::NmrOneD 144494 Specdb::NmrOneD 144495 Specdb::NmrOneD 144496 Specdb::NmrOneD 144497 Specdb::NmrOneD 144498 Specdb::NmrOneD 144499 Specdb::NmrOneD 144500 Specdb::NmrOneD 144501 Specdb::NmrOneD 144502 Specdb::NmrOneD 144503 Specdb::NmrOneD 144504 Specdb::NmrOneD 144505 Specdb::NmrOneD 144506 Specdb::NmrOneD 144507 Specdb::NmrOneD 144508 Specdb::NmrOneD 144509 FDB022131 19712034 23592950 5569 Paul, Lieselotte; Dittmar, Adelheid; Rusch, Christel. Synthesis of maleoyl- and glutarylglycyl chlorides. Chemische Berichte (1967), 100(8), 2757-60.