Back to Search
Molecule
N-Acetyl-Dl-Phenylglycine
CAS: 15962-46-6 · C10H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15962-46-6
- Molecular Formula
- C10H11NO3
- Molecular Mass
- 193.20 g/mol
Identifiers
CAS Registry Number
15962-46-6
SMILES
CC(O)=NC(C(=O)O)c1ccccc1
InChI Key
VKDFZMMOLPIWQQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,11,12)(H,13,14)
Names and Synonyms
- N-Acetyl-Dl-Phenylglycine Synonym
- Benzeneacetic acid, α-(acetylamino)- Synonym
- Glycine, N-acetyl-2-phenyl-, DL- Synonym
- α-(Acetylamino)benzeneacetic acid Synonym
- N-Acetyl-DL-phenylglycine Synonym
- N-Acetyl-DL-2-phenylglycine Synonym
- N-Acetyl-(RS)-2-phenylglycine Synonym
- DL-N-Acetyl-2-phenylglycine Synonym
- N-Acetylphenylglycine Synonym
- N-Acetyl-2-phenylglycine Synonym
- N-Acetyl-α-phenylglycine Synonym
- 2-Acetamido-2-phenylacetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.20 g/mol | CAS Common Chemistry |
| 193.202 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)C)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,11,12)(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=VKDFZMMOLPIWQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190 °C | CAS Common Chemistry |
| Name | N-Acetyl-DL-phenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 1.7887 | RDKit |
| Molar Refractivity | 52.556600000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 193.073893212 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
Convert
Quick conversion
MW = 193.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO3.
