CAS RN: 132622-81-2
(2R,4R)-4-(aMinoMethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS132622-81-2
- Purity/Analytical Methods: >99.0%
132622-81-2 / (2R,4R)-4-(aminomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
132622-81-2
Multi CAS
No
Molecular Formula
C11H20N2O4
Molecular Weight
244.290000
Exact Mass
244.142307
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)O)CN
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-7(5-12)4-8(13)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKey
VWFCKAANOBELKO-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.53
TPSA
92.86
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
-2.1
Consensus LogP
-0.29
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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