Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 21 Yes

Other Names:

"Aspartame, 98%"

(S)-3-Amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid

1-Methyl N-L-alpha-aspartyl-L-phenylalanate

1-Methyl N-L-alpha-aspartyl-L-phenylalanate; 1-Methyl N-L-alpha-aspartyl-L-phenylalanine; 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester; 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer; 3-Amino-N-(alpha-me

1-methyl N-L-alpha-aspartyl-L-phenylalanate; 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester; 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid; Asp-phe-ome; Aspartame; Aspartylphenylalanine methyl ester; L-Aspartyl-L-phenylalani

1-Methyl N-L-alpha-aspartyl-L-phenylalanine

106372-55-8; Aspartame acesulfame (NF); D08862

22839-47-0; Aspartame (NF/INN); D02381

22839-47-0; Aspartame; C11045

3-amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid

3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester

3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer

3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid



APM; SC-18862

Asp-Phe methyl ester


Aspartam [INN-French]

aspartam; aspartame; aspartamo; aspartamum

Aspartame (BAN

Aspartame [USAN:BAN:INN]

Aspartame;L-Aspartyl-L-phenylalanine methyl ester

Aspartame;L-Aspartyl-L-phenylalanine methyl ester; Equal; Nutrasweet

Aspartamo [INN-Spanish]

Aspartamum [INN-Latin]

Aspartylphenylalanine methyl ester

Aspartylphenylalanine methyl ester;Canderel;Dipeptide sweetener;E 951;L-Aspartyl-L-3-phenylalanine methyl ester;L-Aspartyl-L-phenylalanine methyl ester;L-Aspartyl-L-phenylalanyl methyl ester;Methyl aspartylphenylalanate;NutraSweet;Pal Sweet;Palsweet Diet


CPD-5583; aspartame

Dipeptide sweetener


Hydroxysafflor yellow A


L-Aspartyl-L-phenylalanine methyl ester

L-Aspartyl-L-phenylalanine methyl ester, 98%

methyl alpha-aspartylphenylalaninate

Methyl aspartylphenylalanate

Methyl L-alpha-aspartyl-L-phenylalanate

Methyl L-aspartyl-L-phenylalanine

Methyl N-L-alpha-aspartyl-L-phenylalaninate



N-L-alpha-Aspartyl-L-phenylalanine 1-methyl ester





Sweet dipeptide



Download: MOL2 SDF SMILES Flexibase



Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.55 4.37 -37.85 4 7 0 123 294.307 8
Hi High (pH 8-9.5) -0.55 4.05 -50.28 3 7 -1 122 293.299 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 248 - 250 Acros Organics
ALOGPS_SOLUBILITY 6.52e-01 g/l DrugBank-nutriceuticals
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >98% APIChem
Patent Database Links EP1042963; EP1042964; EP1227104; EP1366760; EP1516624; EP1533300; EP1618797; EP1666030; EP1721620; EP1747775; EP1747781; EP1787640; EP1818057; EP1837019; EP1839665; EP1867363; EP1894557; EP1905444; EP1913936; EP1930003; EP1935424; EP1941910; EP1952801; EP ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_21366 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Therapy sweetener SMDC Pharmakon
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)

Analogs ( Draw Identity 99% 90% 80% 70% )