CAS RN: 114724-98-0
Methyl 1-Methyl-2-oxopyrrolidine-3-carboxylate
- Product code: SSC-014455
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, 5g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
114724-98-0 / methyl 1-methyl-2-oxopyrrolidine-3-carboxylate
ethyl 3-oxopyrrolidine-1-carboxylate | DTXSID00298884 | RefChem:595071
Basic Information
CAS
114724-98-0
Multi CAS
Yes
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
CN1CCC(C1=O)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-8-4-3-5(6(8)9)7(10)11-2/h5H,3-4H2,1-2H3
InChIKey
NHLKVGYPYLXMBV-UHFFFAOYSA-N
Synonyms
ethyl 3-oxopyrrolidine-1-carboxylate
DTXSID00298884
RefChem:595071
DTXCID80250021
672-370-7
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.76
TPSA
46.61
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.1
Consensus LogP
-0.26
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very 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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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