Back to Search
Molecule
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
Identifiers
CAS Registry Number
1080-06-4
SMILES
COC(=O)[C@@H](N)Cc1ccc(O)cc1
InChI Key
MWZPENIJLUWBSY-VIFPVBQESA-N
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
Names and Synonyms
- L-Tyrosine, Methyl Ester Synonym
- L-Tyrosine, methyl ester Synonym
- Tyrosine, methyl ester, L- Synonym
- Methyl L-tyrosinate Synonym
- Tyrosine methyl ester Synonym
- Methyl tyrosinate Synonym
- Methyl (2S)-3-(4-hydroxyphenyl)-2-aminopropionate Synonym
- Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propionate Synonym
- (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid methyl ester Synonym
- Methyl (S)-2-amino-3-(4-hydroxyphenyl)propanoate Synonym
- S-Tyrosine methyl ester Synonym
- Methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.21800000000002 g/mol | RDKit | |
| 195.218 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 |
| 0.435 | RDKit | |
| Molar Refractivity | 51.80220000000003 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
Convert
Quick conversion
MW = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13NO3.
