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Molecule
(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 Mass
- 130.15 g/mol
Identifiers
CAS Registry Number
15962-47-7
SMILES
CC(O)=N[C@@H](C)C(=N)O
InChI Key
DVOVBGJJSFSOPZ-VKHMYHEASA-N
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
Names and Synonyms
- (2S)-2-(Acetylamino)Propanamide Synonym
- Propanamide, 2-(acetylamino)-, (2S)- Synonym
- Propionamide, 2-acetamido-, L- Synonym
- Propanamide, 2-(acetylamino)-, (S)- Synonym
- (2S)-2-(Acetylamino)propanamide Synonym
- N-Acetyl-L-alaninamide Synonym
- Acetylalaninamide Synonym
- N-Acetyl-L-alanine amide Synonym
- NSC 186893 Synonym
- (2S)-2-Acetamidopropanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.15 g/mol | CAS Common Chemistry |
| 130.147 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(NC(=O)C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DVOVBGJJSFSOPZ-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (2S)-2-(Acetylamino)propanamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.67 Ų | RDKit |
| LogP | 0.8865700000000001 | RDKit |
| 0.8866 | RDKit | |
| Molar Refractivity | 35.55529999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 130.07422756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 130.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10N2O2.
