CAS RN: 7093-70-1
Glycyl-L-threonine Dihydrate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: ICTG0143
7093-70-1 / (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoic acid
Basic Information
CAS
7093-70-1
Multi CAS
Yes
Molecular Formula
C6H12N2O4
Molecular Weight
176.170000
Exact Mass
176.079707
InChI
InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m1/s1
InChIKey
OLIFSFOFKGKIRH-WUJLRWPWSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
40.3
TPSA
112.65
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.85
XLogP3
-4.1
Consensus LogP
-2.68
Log S (ESOL)
0.66
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
