CAS RN: 412279-18-6
2-Pyrrolidinecarboxamide,3-hydroxy-,(2S,3S)-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS412279-18-6
- Purity/Analytical Methods: >99.0%
412279-18-6 / 3-hydroxypyrrolidine-2-carboxamide
Basic Information
CAS
412279-18-6
Multi CAS
Yes
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
InChI
InChI=1S/C5H10N2O2/c6-5(9)4-3(8)1-2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)
InChIKey
HTJXCQYXFPTUOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
31.61
TPSA
75.35
LogP / Solubility
WLOGP
-1.81
MLOGP
-1.6
XLogP3
-1.5
Consensus LogP
-1.64
Log S (ESOL)
0.56
Class (ESOL)
Highly soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.87
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)
-4.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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