Back to Search
(2S)-2-(Acetylamino)Propanamide
CAS: 15962-47-7 | C5H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15962-47-7
Molecular Formula:
C5H10N2O2
Molecular Weight:
130.147 g/mol
Names and Synonyms:
(2S)-2-(Acetylamino)Propanamide
Propanamide, 2-(acetylamino)-, (2S)-
Propionamide, 2-acetamido-, L-
Propanamide, 2-(acetylamino)-, (S)-
(2S)-2-(Acetylamino)propanamide
N-Acetyl-L-alaninamide
Acetylalaninamide
N-Acetyl-L-alanine amide
NSC 186893
(2S)-2-Acetamidopropanamide
Identifiers:
SMILES:
CC(O)=N[C@@H](C)C(=N)O
InChI:
InChI=1S/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)/t3-/m0/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 130.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C(NC(=O)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=DVOVBGJJSFSOPZ-VKHMYHEASA-N None | Legacy Database |
| cas-name | (2S)-2-(Acetylamino)propanamide None | Legacy Database |
| LogP | 0.8865700000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.147 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.07422756 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 76.67 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.55529999999999 | RDKit |
