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Molecule
Α-Methyl-P-Tyrosine
CAS: 658-48-0 · C10H13NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 658-48-0
- Molecular Formula
- C10H13NO3
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
658-48-0
SMILES
CC(N)(Cc1ccc(O)cc1)C(=O)O
InChI Key
NHTGHBARYWONDQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)
Names and Synonyms
- Α-Methyl-P-Tyrosine Synonym
- Tyrosine, α-methyl- Synonym
- α-Methyltyrosine Synonym
- α-Methyl-p-tyrosine Synonym
- DL-α-Methyltyrosine Synonym
- DL-α-Methyl-p-tyrosine Synonym
- α-MPT Synonym
- (±)-α-Methyl-p-tyrosine Synonym
- DL-2-Methyl-p-tyrosine Synonym
- α-Methyl-DL-tyrosine Synonym
- Racemetirosine Synonym
- dl-Metyrosine Synonym
- 2-(4-Hydroxybenzyl)-2-aminopropanoic acid Synonym
- L 1-79 Synonym
- SM 88 Synonym
- (±)-α-Methyl-DL-tyrosine Synonym
- 2-Amino-3-(4-hydroxy-phenyl)-2-methyl-propionic acid Synonym
- 2-Amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.218 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)(C)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=NHTGHBARYWONDQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | α-Methyl-p-tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | 0.7367000000000001 | RDKit |
| 0.7367 | RDKit | |
| Molar Refractivity | 52.03900000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 195.089543276 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 = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13NO3.
