CAS RN: 550371-67-0
(R)-1-BOC-3-ACETAMIDOPYRROLIDINE
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.20250311 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS550371-67-0
- Purity/Analytical Methods: >99.0%
550371-67-0 / tert-butyl 3-acetamidopyrrolidine-1-carboxylate
Basic Information
CAS
550371-67-0
Multi CAS
Yes
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
InChI
InChI=1S/C11H20N2O3/c1-8(14)12-9-5-6-13(7-9)10(15)16-11(2,3)4/h9H,5-7H2,1-4H3,(H,12,14)/t9-/m1/s1
InChIKey
SLFZPSKIMUPQSR-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.03
TPSA
58.64
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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