1.0 2010-04-08 22:10:31 UTC 2015-07-20 22:56:01 UTC FDB013079 Neotame Potential 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. Neotame C20H30N2O5 378.4626 378.21547208 3-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid 3-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid 165450-17-9 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(O)=O)NCCC(C)(C)C InChI=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. Peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds Alpha amino acid amides Alpha amino acid esters Amino acids Amphetamines and derivatives Aspartic acid and derivatives Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Methyl esters N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Alpha peptide Alpha-amino acid amide Alpha-amino acid ester Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Aspartic acid or derivatives Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Fatty amide Hydrocarbon derivative Methyl ester Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide logp 0.42 ALOGPS logs -4.30 ALOGPS solubility 1.89e-02 g/l ALOGPS melting_point Mp 80-83° (monohydrate) logp -0.083 ChemAxon pka_strongest_acidic 3.6 ChemAxon pka_strongest_basic 9.22 ChemAxon iupac 3-[(3,3-dimethylbutyl)amino]-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]propanoic acid ChemAxon average_mass 378.4626 ChemAxon mono_mass 378.21547208 ChemAxon smiles COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(O)=O)NCCC(C)(C)C ChemAxon formula C20H30N2O5 ChemAxon inchi InChI=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) ChemAxon inchikey HLIAVLHNDJUHFG-UHFFFAOYSA-N ChemAxon polar_surface_area 104.73 ChemAxon refractivity 100.89 ChemAxon polarizability 40.85 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19158 Specdb::CMs 43931 Specdb::CMs 158178 Specdb::MsMs 308566 Specdb::MsMs 308567 Specdb::MsMs 308568 Specdb::MsMs 352783 Specdb::MsMs 352784 Specdb::MsMs 352785 Specdb::MsMs 2673125 Specdb::MsMs 2673126 Specdb::MsMs 2673127 Specdb::MsMs 3032987 Specdb::MsMs 3032988 Specdb::MsMs 3032989 Specdb::NmrOneD 126598 Specdb::NmrOneD 126599 Specdb::NmrOneD 126600 Specdb::NmrOneD 126601 Specdb::NmrOneD 126602 Specdb::NmrOneD 126603 Specdb::NmrOneD 126604 Specdb::NmrOneD 126605 Specdb::NmrOneD 126606 Specdb::NmrOneD 126607 Specdb::NmrOneD 126608 Specdb::NmrOneD 126609 Specdb::NmrOneD 126610 Specdb::NmrOneD 126611 Specdb::NmrOneD 126612 Specdb::NmrOneD 126613 Specdb::NmrOneD 126614 Specdb::NmrOneD 126615 Specdb::NmrOneD 126616 Specdb::NmrOneD 126617 HMDB34566 #<Reference:0x000055ce317488f8>