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: 5g, 10g, 1g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 8
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Shanghai | Inquiry |
| 1g | -- | 3 In Stock | Shanghai | Inquiry |
| 1g | >95% | 3 In Stock | Beijing | Inquiry |
| 25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
204688-61-9 / 2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
Basic Information
CAS
204688-61-9
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-5-4-8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
SKEXQIJIXQSFRX-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.17
TPSA
66.84
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1
Consensus LogP
1.41
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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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