Molecular formula
C11H12N2O2

SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])[NH3+]

Fragrance
Odorless	44.67%
Grape	32.17%
Fruity	28.05%
Savory	27.16%
Animal	24.76%
Fatty	24.33%
Milky	23.55%
Cooked	23.51%
Musk	22.92%
Bitter	21.52%

 

Flavor
Bitter	70.27%
Odorless	48.33%
Mild	27.22%
Bland	24.72%
Sweet-like	20.45%
Nitrile	20.31%
Orange flower	19.69%
Orange blossom	18.84%
Very strong	18.83%
Bread crust	18.82%

 

Odor impact est.
Odorless

XLogP3-AA
-0.4

pKa est.
5.48 (weak acid)

Molecular weight
204.22 g/mol

Melting point expt.

• 230 °C

Flash point

• 233.22 ˚C est.

Solubility expt.

• 13.4 mg/mL at 25 °C

• 3rzi
• L-tryptophan zwitterion
• 3f3a
• 3qs4
• 3qs5
• 3qs6
• 2-amino-3-indolylpropanic acid
• SCHEMBL23141133
• CHEBI:57912
• (2S)-2-ammonio-3-(1H-indol-3-yl)propanoate

(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate is used in multiple real-world applications as the zwitterionic form of tryptophan: it serves as a nutritional amino acid in animal feeds and as a dietary supplement for humans; it is an important intermediate in pharmaceutical and biotech synthesis; it can act as a precursor for indole-containing fragrance ingredients in perfumery; it is produced through fermentation processes to supply L-tryptophan; and it can function as a conditioning amino acid in cosmetics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1.64
methanol	5.51
isopropanol	0.56
water	3.47
ethyl acetate	0.67
n-propanol	0.7
acetone	1.13
n-butanol	0.61
acetonitrile	0.21
DMF	17.06
toluene	0.05
isobutanol	0.57
1,4-dioxane	0.51
methyl acetate	0.68
THF	2.62
2-butanone	1.3
n-pentanol	0.78
sec-butanol	0.83
n-hexane	0.02
ethylene glycol	10.46
NMP	29.11
cyclohexane	0.01
DMSO	13.52
n-butyl acetate	0.91
n-octanol	0.12
chloroform	0.06
n-propyl acetate	0.68
acetic acid	8.36
dichloromethane	0.13
cyclohexanone	1.24
propylene glycol	5.8
isopropyl acetate	0.58
DMAc	39.64
2-ethoxyethanol	15.02
isopentanol	0.99
n-heptane	0.02
ethyl formate	0.93
1,2-dichloroethane	0.14
n-hexanol	0.98
2-methoxyethanol	22.76
isobutyl acetate	0.35
tetrachloromethane	0.04
n-pentyl acetate	0.54
transcutol	15.66
n-heptanol	0.53
ethylbenzene	0.11
MIBK	0.87
2-propoxyethanol	10.58
tert-butanol	1.1
MTBE	0.37
2-butoxyethanol	5.58
propionic acid	2.3
o-xylene	0.1
formic acid	50.26
diethyl ether	0.23
m-xylene	0.09
p-xylene	0.18
chlorobenzene	0.06
dimethyl carbonate	1.47
n-octane	0.01
formamide	58.11
cyclopentanone	3.21
2-pentanone	0.94
anisole	0.55
cyclopentyl methyl ether	0.58
gamma-butyrolactone	5.72
1-methoxy-2-propanol	10.9
pyridine	0.69
3-pentanone	0.7
furfural	8.59
n-dodecane	0.01
diethylene glycol	27.19
diisopropyl ether	0.14
tert-amyl alcohol	1.7
acetylacetone	2.42
n-hexadecane	0.01
acetophenone	1.44
methyl propionate	1.21
isopentyl acetate	1.28
trichloroethylene	0.3
n-nonanol	0.17
cyclohexanol	0.41
benzyl alcohol	1.23
2-ethylhexanol	0.57
isooctanol	0.58
dipropyl ether	0.39
1,2-dichlorobenzene	0.12
ethyl lactate	3.23
propylene carbonate	2.58
n-methylformamide	7.78
2-pentanol	0.5
n-pentane	0.01
1-propoxy-2-propanol	4.81
1-methoxy-2-propyl acetate	3.05
2-(2-methoxypropoxy) propanol	7.23
mesitylene	0.08
ε-caprolactone	2.33
p-cymene	0.16
epichlorohydrin	2.54
1,1,1-trichloroethane	0.06
2-aminoethanol	9.68
morpholine-4-carbaldehyde	17.02
sulfolane	13.75
2,2,4-trimethylpentane	0.02
2-methyltetrahydrofuran	1.0
n-hexyl acetate	0.44
isooctane	0.01
2-(2-butoxyethoxy)ethanol	7.92
sec-butyl acetate	0.58
tert-butyl acetate	1.15
decalin	0.02
glycerin	31.59
diglyme	12.24
acrylic acid	4.1
isopropyl myristate	0.26
n-butyric acid	2.24
acetyl acetate	0.53
di(2-ethylhexyl) phthalate	1.17
ethyl propionate	0.9
nitromethane	8.47
1,2-diethoxyethane	1.03
benzonitrile	0.32
trioctyl phosphate	0.54
1-bromopropane	0.06
gamma-valerolactone	9.09
n-decanol	0.16
triethyl phosphate	1.31
4-methyl-2-pentanol	0.57
propionitrile	0.15
vinylene carbonate	1.5
1,1,2-trichlorotrifluoroethane	9.18
DMS	1.45
cumene	0.14
2-octanol	0.24
2-hexanone	0.86
octyl acetate	0.35
limonene	0.18
1,2-dimethoxyethane	7.62
ethyl orthosilicate	1.17
tributyl phosphate	0.66
diacetone alcohol	5.73
N,N-dimethylaniline	0.73
acrylonitrile	0.37
aniline	0.26
1,3-propanediol	9.0
bromobenzene	0.04
dibromomethane	0.06
1,1,2,2-tetrachloroethane	0.27
2-methyl-cyclohexyl acetate	1.18
tetrabutyl urea	1.25
diisobutyl methanol	0.42
2-phenylethanol	1.38
styrene	0.09
dioctyl adipate	0.63
dimethyl sulfate	4.88
ethyl butyrate	0.95
methyl lactate	5.66
butyl lactate	2.58
diethyl carbonate	0.85
propanediol butyl ether	4.44
triethyl orthoformate	1.16
p-tert-butyltoluene	0.14
methyl 4-tert-butylbenzoate	2.72
morpholine	1.14
tert-butylamine	0.25
n-dodecanol	0.13
dimethoxymethane	4.46
ethylene carbonate	0.9
cyrene	11.72
2-ethoxyethyl acetate	1.96
2-ethylhexyl acetate	0.84
1,2,4-trichlorobenzene	0.21
4-methylpyridine	0.42
dibutyl ether	0.15
2,6-dimethyl-4-heptanol	0.42
DEF	2.98
dimethyl isosorbide	10.73
tetrachloroethylene	0.34
eugenol	5.21
triacetin	2.17
span 80	3.98
1,4-butanediol	5.48
1,1-dichloroethane	0.05
2-methyl-1-pentanol	1.2
methyl formate	4.12
2-methyl-1-butanol	1.01
n-decane	0.01
butyronitrile	0.19
3,7-dimethyl-1-octanol	0.27
1-chlorooctane	0.03
1-chlorotetradecane	0.02
n-nonane	0.01
undecane	0.01
tert-butylcyclohexane	0.02
cyclooctane	0.01
cyclopentanol	0.83
tetrahydropyran	0.23
tert-amyl methyl ether	0.65
2,5,8-trioxanonane	11.1
1-hexene	0.09
2-isopropoxyethanol	6.7
2,2,2-trifluoroethanol	5.97
methyl butyrate	1.39

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