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L-M-Tyrosine
CAS: 587-33-7 | C9H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
587-33-7
Molecular Formula:
C9H11NO3
Molecular Mass:
181.19 g/mol
Names and Synonyms:
L-M-Tyrosine
L-Phenylalanine, 3-hydroxy-
m-Tyrosine, L-
3-Hydroxy-L-phenylalanine
3-(m-Hydroxyphenyl)alanine
L-m-Tyrosine
3-Hydroxyphenylalanine
m-L-Tyrosine
L-meta-Tyrosine
L-3-Hydroxyphenylalanine
(S)-2-Amino-3-(3-hydroxyphenyl)propanoic acid
(2S)-2-Amino-3-(3-hydroxyphenyl)propanoic acid
Identifiers:
SMILES:
N[C@@H](Cc1cccc(O)c1)C(=O)O
InChI:
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Key Properties
Melting Point
268 °C (decomp)
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 | 181.19 g/mol | CAS Common Chemistry |
| 181.19099999999997 g/mol | RDKit | |
| 181.073893212 g/mol | RDKit | |
| 181.191 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC=1C=CC=C(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JZKXXXDKRQWDET-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 268 °C (decomp) | CAS Common Chemistry |
| Name | L-m-Tyrosine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 4 | chempirical lib | |
| Hydrogen Bond Donors | 3 | RDKit |
| 4 | chempirical lib | |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | 0.3466 | RDKit |
| 0.91 | chempirical lib | |
| Molar Refractivity | 47.42200000000002 | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib |
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