CAS RN: 274692-08-9
(S)-tert-butyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate
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.20260220 | 10mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS274692-08-9
- Purity/Analytical Methods: >99.0%
274692-08-9 / tert-butyl (3S)-3-(2-aminoethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
274692-08-9
Multi CAS
No
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)CCN
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKey
JHHBMDKAYOQBBB-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.59
TPSA
55.56
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
0.9
Consensus LogP
1.3
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.9
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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