1.0 2016-09-30 23:22:31 UTC 2020-04-22 15:17:35 UTC BMDB0006488 BMDB06488 N-Acetyl-L-glutamate 5-semialdehyde 2-Acetamido-5-oxovaleric acid N-Acetyl-5-oxo-L-norvaline 2-Acetamido-5-oxopentanoate 2-Acetamido-5-oxovalerate 2-Acetamido-5-oxopentanoic acid N-Acetyl-L-glutamic acid 5-semialdehyde N-Acetyl-L-glutamic acid gamma-semialdehyde C7H11NO4 173.1665 173.068807845 (2S)-2-acetamido-5-oxopentanoic acid N-acetyl-5-oxo-L-norvaline 13074-21-0 CC(=O)N[C@@H](CCC=O)C(O)=O InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1 BCPSFKBPHHBDAI-LURJTMIESA-N belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-L-alpha-amino acids Acetamides Alpha-hydrogen aldehydes Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acetamide Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Carbonyl group Carboxamide group Carboxylic acid Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aliphatic acyclic compounds acetamides glutamic semialdehyde Solid logp -0.43 ALOGPS logs -0.97 ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 3.72 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac (2S)-2-acetamido-5-oxopentanoic acid ChemAxon average_mass 173.1665 ChemAxon mono_mass 173.068807845 ChemAxon smiles CC(=O)N[C@@H](CCC=O)C(O)=O ChemAxon formula C7H11NO4 ChemAxon inchi InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1 ChemAxon inchikey BCPSFKBPHHBDAI-LURJTMIESA-N ChemAxon polar_surface_area 83.47 ChemAxon refractivity 39.81 ChemAxon polarizability 16.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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 Specdb::MsIr 2409 Specdb::MsIr 2410 Specdb::MsIr 2411 Specdb::MsMs 24596 Specdb::MsMs 24597 Specdb::MsMs 24598 Specdb::MsMs 31154 Specdb::MsMs 31155 Specdb::MsMs 31156 Specdb::MsMs 2416708 Specdb::MsMs 2416709 Specdb::MsMs 2416710 Specdb::MsMs 2548987 Specdb::MsMs 2548988 Specdb::MsMs 2548989 Specdb::CMs 3024 Specdb::CMs 39028 Specdb::CMs 160845 Specdb::NmrOneD 74572 Specdb::NmrOneD 74573 Specdb::NmrOneD 74574 Specdb::NmrOneD 74575 Specdb::NmrOneD 74576 Specdb::NmrOneD 74577 Specdb::NmrOneD 74578 Specdb::NmrOneD 74579 Specdb::NmrOneD 74580 Specdb::NmrOneD 74581 Specdb::NmrOneD 74582 Specdb::NmrOneD 74583 Specdb::NmrOneD 74584 Specdb::NmrOneD 74585 Specdb::NmrOneD 74586 Specdb::NmrOneD 74587 Specdb::NmrOneD 74588 Specdb::NmrOneD 74589 Specdb::NmrOneD 74590 Specdb::NmrOneD 74591 FDB023938 167387 C01250 192878 16319 CPD-469 37191