CAS RN: 32595-49-6
Glycyl-4-aminobutyric Acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTG0115
- Purity/Analytical Methods: >95.0%(T)
32595-49-6 / 4-[(2-aminoacetyl)amino]butanoic acid
Basic Information
CAS
32595-49-6
Multi CAS
Yes
Molecular Formula
C6H12N2O3
Molecular Weight
160.170000
Exact Mass
160.084792
InChI
InChI=1S/C6H12N2O3/c7-4-5(9)8-3-1-2-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
InChIKey
FNSFAHRUVVKKMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.93
TPSA
92.42
LogP / Solubility
WLOGP
-1.07
MLOGP
-0.95
XLogP3
-3.8
Consensus LogP
-1.94
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-4.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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