CAS RN: 67118-31-4
alpha-Ethyl-2-oxo-1-pyrrolidineacetic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260216 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS67118-31-4
- Purity/Analytical Methods: >99.0%
67118-31-4 / ethyl 2-(2-oxopyrrolidin-1-yl)acetate
Basic Information
CAS
67118-31-4
Multi CAS
Yes
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
InChI
InChI=1S/C8H13NO3/c1-2-12-8(11)6-9-5-3-4-7(9)10/h2-6H2,1H3
InChIKey
AQZWKPDVWWJWRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
42.45
TPSA
46.61
LogP / Solubility
WLOGP
0.17
MLOGP
0.15
XLogP3
0.1
Consensus LogP
0.14
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
