Back to Search
N-Acetyl-L-Tryptophanamide
CAS: 2382-79-8 | C13H15N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2382-79-8
Molecular Formula:
C13H15N3O2
Molecular Mass:
245.28 g/mol
Names and Synonyms:
N-Acetyl-L-Tryptophanamide
1H-Indole-3-propanamide, α-(acetylamino)-, (αS)-
Indole-3-propionamide, α-acetamido-, L-
1H-Indole-3-propanamide, α-(acetylamino)-, (S)-
(αS)-α-(Acetylamino)-1H-indole-3-propanamide
Acetyltryptophanamide
(+)-2-Acetamido-3-(indol-3-yl)propionamide
N-L-Acetyltryptophanamide
N-Acetyl-L-tryptophanamide
NAWA
(αS)-N-Acetyl-tryptophan amide
(2S)-2-Acetamido-3-(1H-indol-3-yl)propanamide
Identifiers:
SMILES:
CC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=N)O
InChI:
InChI=1S/C13H15N3O2/c1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)/t12-/m0/s1
Key Properties
Melting Point
193-194 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.28 g/mol | CAS Common Chemistry |
| 245.282 g/mol | RDKit | |
| 245.11642672 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(NC(=O)C)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15N3O2/c1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)/t12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HNGIZKAMDMBRKJ-LBPRGKRZSA-N | CAS Common Chemistry |
| Melting Point | 193-194 °C | CAS Common Chemistry |
| Name | N-Acetyl-L-tryptophanamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.46000000000001 Ų | RDKit |
| LogP | 2.59067 | RDKit |
| Molar Refractivity | 71.88400000000003 | RDKit |
