CAS RN: 2015655-98-6
tert-Butyl 2-(2-Methyl-1-pyrrolidinyl)acetate
- Product code: SSC-095057
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2015655-98-6 / tert-butyl 2-(2-methylpyrrolidin-1-yl)acetate
Basic Information
CAS
2015655-98-6
Multi CAS
No
Molecular Formula
C11H21NO2
Molecular Weight
199.290000
Exact Mass
199.157229
SMILES
CC1CCCN1CC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO2/c1-9-6-5-7-12(9)8-10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKey
AABGLGIWVAZBPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.11
TPSA
29.54
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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