1.0 2011-09-21 01:39:37 UTC 2015-07-21 06:59:25 UTC FDB028426 N-Acetylleucine Acetylleucine is a drug used in the treatment of vertigo. from wiki [HMDB] Acetyl-l-leucine Acetylleucine n-acetyl-L-leucin N-acetyl-l-leucine N-Acetyl-leu N-acetylleucine C8H15NO3 173.2096 173.105193351 (2S)-2-acetamido-4-methylpentanoic acid N-acetyl-leu 1188-21-2 CC(C)C[C@H](NC(C)=O)C(O)=O InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 WXNXCEHXYPACJF-ZETCQYMHSA-N belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Leucine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative Leucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound L-leucine derivative N-acetyl-L-amino acid Solid logp 0.78 ALOGPS logs -1.20 ALOGPS solubility 1.09e+01 g/l ALOGPS logp 0.49 ChemAxon pka_strongest_acidic 4.2 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac (2S)-2-acetamido-4-methylpentanoic acid ChemAxon average_mass 173.2096 ChemAxon mono_mass 173.105193351 ChemAxon smiles CC(C)C[C@H](NC(C)=O)C(O)=O ChemAxon formula C8H15NO3 ChemAxon inchi InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 ChemAxon inchikey WXNXCEHXYPACJF-ZETCQYMHSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 43.61 ChemAxon polarizability 18.09 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2616 Specdb::MsIr 2617 Specdb::MsIr 2618 Specdb::CMs 19149 Specdb::CMs 30045 Specdb::CMs 30639 Specdb::CMs 31713 Specdb::CMs 31714 Specdb::CMs 39797 Specdb::CMs 100000 Specdb::CMs 100001 Specdb::CMs 100002 Specdb::CMs 100003 Specdb::CMs 135216 Specdb::CMs 142950 Specdb::NmrOneD 94572 Specdb::NmrOneD 94573 Specdb::NmrOneD 94574 Specdb::NmrOneD 94575 Specdb::NmrOneD 94576 Specdb::NmrOneD 94577 Specdb::NmrOneD 94578 Specdb::NmrOneD 94579 Specdb::NmrOneD 94580 Specdb::NmrOneD 94581 Specdb::NmrOneD 94582 Specdb::NmrOneD 94583 Specdb::NmrOneD 94584 Specdb::NmrOneD 94585 Specdb::NmrOneD 94586 Specdb::NmrOneD 94587 Specdb::NmrOneD 94588 Specdb::NmrOneD 94589 Specdb::NmrOneD 94590 Specdb::NmrOneD 94591 Specdb::MsMs 88893 Specdb::MsMs 88894 Specdb::MsMs 88895 Specdb::MsMs 151704 Specdb::MsMs 151705 Specdb::MsMs 151706 Specdb::MsMs 437269 Specdb::MsMs 437270 Specdb::MsMs 437271 Specdb::MsMs 437272 Specdb::MsMs 437273 Specdb::MsMs 440162 Specdb::MsMs 445726 Specdb::MsMs 445727 Specdb::MsMs 445728 Specdb::MsMs 445729 Specdb::MsMs 445730 Specdb::MsMs 2226974 Specdb::MsMs 2227354 Specdb::MsMs 2227377 Specdb::MsMs 2227757 Specdb::MsMs 2229683 Specdb::MsMs 2229788 Specdb::MsMs 2231686 Specdb::MsMs 2232212 HMDB11756 17786 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Glycine N-acyltransferase Q6IB77 GLYAT Glycine N-acyltransferase-like protein 1 Q969I3 GLYATL1 Glycine N-acyltransferase-like protein 2 Q8WU03 GLYATL2