1.02010-04-08 22:10:31 UTC2015-07-20 22:56:01 UTCFDB013079NeotamePotential high-intensity sweetener, sweetness variously stated to be 40 x sucrose and 7000-13000 x sucrose
Neotame is an artificial sweetener made by NutraSweet that is between 7,000 and 13,000 times sweeter than sucrose (table sugar). In the European Union it is known by the E number E961. Neotame is moderately heat stable and extremely potent. Neotame is rapidly metabolized, completely eliminated, and does not accumulate in the body.NeotameC20H30N2O5378.4626378.215472083-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid3-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid165450-17-9COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(O)=O)NCCC(C)(C)CInChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)HLIAVLHNDJUHFG-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.PeptidesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAromatic homomonocyclic compoundsAlpha amino acid amidesAlpha amino acid estersAmino acidsAmphetamines and derivativesAspartic acid and derivativesCarbonyl compoundsCarboxylic acidsDialkylaminesDicarboxylic acids and derivativesFatty acid estersHydrocarbon derivativesMethyl estersN-acyl aminesN-acyl-alpha amino acids and derivativesOrganic oxidesOrganopnictogen compoundsPhenylalanine and derivativesSecondary carboxylic acid amidesAlpha peptideAlpha-amino acid amideAlpha-amino acid esterAlpha-amino acid or derivativesAmineAmino acidAmino acid or derivativesAmphetamine or derivativesAromatic homomonocyclic compoundAspartic acid or derivativesBenzenoidCarbonyl groupCarboxamide groupCarboxylic acidCarboxylic acid esterDicarboxylic acid or derivativesFatty acid esterFatty acylFatty amideHydrocarbon derivativeMethyl esterMonocyclic benzene moietyN-acyl-alpha amino acid or derivativesN-acyl-amineN-substituted-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenylalanine or derivativesSecondary aliphatic amineSecondary amineSecondary carboxylic acid amidelogp0.42logs-4.30solubility1.89e-02 g/lmelting_pointMp 80-83° (monohydrate)logp-0.083pka_strongest_acidic3.6pka_strongest_basic9.22iupac3-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acidaverage_mass378.4626mono_mass378.21547208smilesCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(O)=O)NCCC(C)(C)CformulaC20H30N2O5inchiInChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)inchikeyHLIAVLHNDJUHFG-UHFFFAOYSA-Npolar_surface_area104.73refractivity100.89polarizability40.85rotatable_bond_count12acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::NmrOneD126598Specdb::NmrOneD126599Specdb::NmrOneD126600Specdb::NmrOneD126601Specdb::NmrOneD126602Specdb::NmrOneD126603Specdb::NmrOneD126604Specdb::NmrOneD126605Specdb::NmrOneD126606Specdb::NmrOneD126607Specdb::NmrOneD126608Specdb::NmrOneD126609Specdb::NmrOneD126610Specdb::NmrOneD126611Specdb::NmrOneD126612Specdb::NmrOneD126613Specdb::NmrOneD126614Specdb::NmrOneD126615Specdb::NmrOneD126616Specdb::NmrOneD126617Specdb::CMs19158Specdb::CMs43931Specdb::CMs158178Specdb::MsMs308566Specdb::MsMs308567Specdb::MsMs308568Specdb::MsMs352783Specdb::MsMs352784Specdb::MsMs352785Specdb::MsMs2673125Specdb::MsMs2673126Specdb::MsMs2673127Specdb::MsMs3032987Specdb::MsMs3032988Specdb::MsMs3032989HMDB34566#<Reference:0x00005556756d64d0>