Glycyltyrosine dihydrateProduct ingredient for Glycyltyrosine
- Name
- Glycyltyrosine dihydrate
- Drug Entry
- Glycyltyrosine
- Accession Number
- DBSALT003122
- Structure
Structure for Glycyltyrosine dihydrate (DBSALT003122)
- Synonyms
- Glycyl-L-tyrosine dihydrate
- UNII
- 269373P3AW
- CAS Number
- 39630-46-1
- Weight
- Average: 274.273
Monoisotopic: 274.116486308 - Chemical Formula
- C11H18N2O6
- InChI Key
- VELZBUAWAUZDLF-WWPIYYJJSA-N
- InChI
- InChI=1S/C11H14N2O4.2H2O/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7;;/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17);2*1H2/t9-;;/m0../s1
- IUPAC Name
- (2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoic acid dihydrate
- SMILES
- O.O.NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
- External Links
- ChemSpider
- 23621101
- Predicted Properties
Property Value Source Water Solubility 1.84 mg/mL ALOGPS logP -2.5 ALOGPS logP -2.6 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 3.4 Chemaxon pKa (Strongest Basic) 8.12 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 112.65 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 59.9 m3·mol-1 Chemaxon Polarizability 23.09 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon