Aspartame
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular Identity
Aspartame
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
PubChem CID: 134601
Aspartame is a dipeptide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of methyl L-phenylalaninate. Commonly used as an artificial sweetener. It has a role as a micronutrient, a xenobiotic, a sweetening agent, a nutraceutical, an EC 3.1.3.1 (alkaline phosphatase) inhibitor, an apoptosis inhibitor and an environmental contaminant. It is a methyl ester, a carboxylic acid and a dipeptide. It is functionally related to a L-aspartic acid and a methyl L-phenylalaninate. It is a tautomer of an aspartame zwitterion.
2D Structure
Properties
C14H18N2O5
Molecular Formula
294.30
Molecular Weight
g/mol
294.1216
Exact Mass
Da
-2.7
XLogP
Drug-like (Lipinski: < 5)
119
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
380
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NIsomeric SMILES
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NSynonyms(20)
aspartame22839-47-0NutrasweetAsp-phe-omeAspartamAspartamoSweet dipeptideL-Aspartyl-L-phenylalanine methyl esterAspartamumDipeptide sweetenerEqualMethyl aspartylphenylalanateAspartylphenylalanine methyl esterPal SweetSladex
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aspartame
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