Glycylglutamine monohydrateProduct ingredient for Glycylglutamine
- Name
- Glycylglutamine monohydrate
- Drug Entry
- Glycylglutamine
- Accession Number
- DBSALT003121
- Structure
Structure for Glycylglutamine monohydrate (DBSALT003121)
- Synonyms
- Glycyl-glutamine monohydrate / Glycylglutamine H2O
- UNII
- 668A00JUHO
- CAS Number
- 172669-64-6
- Weight
- Average: 221.213
Monoisotopic: 221.101170595 - Chemical Formula
- C7H15N3O5
- InChI Key
- KLFWVRQACSYLOH-WCCKRBBISA-N
- InChI
- InChI=1S/C7H13N3O4.H2O/c8-3-6(12)10-4(7(13)14)1-2-5(9)11;/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14);1H2/t4-;/m0./s1
- IUPAC Name
- (2S)-2-(2-aminoacetamido)-4-carbamoylbutanoic acid hydrate
- SMILES
- O.NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
- External Links
- ChemSpider
- 21168606
- Predicted Properties
Property Value Source Water Solubility 17.4 mg/mL ALOGPS logP -3.4 ALOGPS logP -5.1 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 3.48 Chemaxon pKa (Strongest Basic) 8.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 135.51 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 45.91 m3·mol-1 Chemaxon Polarizability 19.17 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon