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L-Tyrosine, Methyl Ester
CAS: 1080-06-4 | C10H13NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1080-06-4
Molecular Formula:
C10H13NO3
Molecular Mass:
195.22 g/mol
Names and Synonyms:
L-Tyrosine, Methyl Ester
L-Tyrosine, methyl ester
Tyrosine, methyl ester, L-
Methyl L-tyrosinate
Tyrosine methyl ester
Methyl tyrosinate
Methyl (2S)-3-(4-hydroxyphenyl)-2-aminopropionate
Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propionate
(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid methyl ester
Methyl (S)-2-amino-3-(4-hydroxyphenyl)propanoate
S-Tyrosine methyl ester
Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Identifiers:
SMILES:
COC(=O)[C@@H](N)Cc1ccc(O)cc1
InChI:
InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
Key Properties
Melting Point
135-139 °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 | 195.22 g/mol | CAS Common Chemistry |
| 195.21800000000002 g/mol | RDKit | |
| 195.089543276 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MWZPENIJLUWBSY-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 135-139 °C | CAS Common Chemistry |
| Name | L-Tyrosine, methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.55 Ų | RDKit |
| LogP | 0.43499999999999944 | RDKit |
| Molar Refractivity | 51.80220000000003 | RDKit |
