| Common Name |
Tyrosine methylester
| Description |
Not Available
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29217 (Tyrosine methylester)
| Synonyms |
| Value |
Source |
2-amino-3-(4-Hydroxy-phenyl)-propionic acid methyl esterChEBI
L-Tyrosine methyl esterChEBI
Tyr-omeChEBI
Tyrosine methyl esterChEBI
2-amino-3-(4-Hydroxy-phenyl)-propionate methyl esterGenerator
Tyrosine methyl ester hydrochloride, (D)-isomerMeSH
Tyrosine methyl ester hydrochloride, (L)-isomerMeSH
| Chemical Formlia |
C10H13NO3
| Average Molecliar Weight |
195.2151
| Monoisotopic Molecliar Weight |
195.089543287
| IUPAC Name |
methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
| Traditional Name |
tyrosine methyl ester
| CAS Registry Number |
1080-06-4
| SMILES |
COC(=O)[C@@H](N)CC1=CC=C(O)C=C1
| InChI Identifier |
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
| InChI Key |
MWZPENIJLUWBSY-VIFPVBQESA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resliting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Tyrosine and derivatives
| Alternative Parents |
Phenylalanine and derivatives
Alpha amino acid esters
Amphetamines and derivatives
Fatty acid esters
Aralkylamines
1-hydroxy-2-unsubstituted benzenoids
Methyl esters
Monocarboxylic acids and derivatives
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Tyrosine or derivatives
Phenylalanine or derivatives
Alpha-amino acid ester
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Aralkylamine
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Methyl ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxide
Organic nitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Amine
Primary amine
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
L-tyrosyl ester (CHEBI:17215 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Not Available
| Biofunction |
Not Available
| Application |
Not Available
| Cellliar locations |
Not Available
| Physical Properties |
| State |
Solid
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility2.39 mg/mLALOGPS
logP0.36ALOGPS
logP0.92ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)9.51ChemAxon
pKa (Strongest Basic)6.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area72.55 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity51.87 m3·mol-1ChemAxon
Polarizability20.4 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
Not Available
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
Not Available
| KNApSAcK ID |
Not Available
| Chemspider ID |
63818
| KEGG Compound ID |
C03404
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29217
| Metagene Link |
HMDB29217
| METLIN ID |
Not Available
| PubChem Compound |
70652
| PDB ID |
Not Available
| ChEBI ID |
17215
Product: Velpatasvir
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 19906957
