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Molecule
Tyrosine
CAS: 60-18-4 · C9H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60-18-4
- Molecular Formula
- C9H11NO3
- Molecular Mass
- 181.19 g/mol
Identifiers
CAS Registry Number
60-18-4
SMILES
N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI Key
OUYCCCASQSFEME-QMMMGPOBSA-N
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Names and Synonyms
- Tyrosine Synonym
- L-Tyrosine Synonym
- Tyrosine, L- Synonym
- (-)-α-Amino-p-hydroxyhydrocinnamic acid Synonym
- L(-)-β-(p-Hydroxyphenyl)alanine Synonym
- L-(-)-Tyrosine Synonym
- p-Tyrosine Synonym
- Benzenepropanoic acid, α-amino-4-hydroxy-, (S)- Synonym
- L-Phenylalanine, 4-hydroxy- Synonym
- Tyrosine Synonym
- L-p-Tyrosine Synonym
- Tyr Synonym
- 4-(2-Amino-2-carboxyethyl)phenol Synonym
- Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)- Synonym
- β-(p-Hydroxyphenyl)alanine Synonym
- (S)-α-Amino-4-hydroxybenzenepropanoic acid Synonym
- L-Tyr Synonym
- (S)-Tyrosine Synonym
- NSC 82624 Synonym
- NSC 9973 Synonym
- (S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid Synonym
- (2S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid Synonym
- Therigon Synonym
- H-L-Tyr-OH Synonym
- L-4-Hydroxyphenylalanine Synonym
- p-Hydroxyphenylalanine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.19 g/mol | CAS Common Chemistry |
| 181.19099999999997 g/mol | RDKit | |
| 181.191 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.46 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tyrosine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 344 °C | CAS Common Chemistry |
| Name | L-Tyrosine | CAS Common Chemistry |
| Tyrosine | CAS Common Chemistry | |
| Heavy Atom Count | 13 | 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 | 0.3466 | RDKit |
| Molar Refractivity | 47.42200000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 181.073893212 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
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MW = 181.19 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
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