CAS RN: 1272755-99-3
Methyl 1-(2-Methoxyethyl)-2-oxopyrrolidine-4-carboxylate
- Product code: SSC-034784
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: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
1272755-99-3 / methyl 1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
Basic Information
CAS
1272755-99-3
Multi CAS
No
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
SMILES
COCCN1CC(CC1=O)C(=O)OC
InChI
InChI=1S/C9H15NO4/c1-13-4-3-10-6-7(5-8(10)11)9(12)14-2/h7H,3-6H2,1-2H3
InChIKey
ZUFRWFKGEMSVJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
48.58
TPSA
55.84
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.3
XLogP3
-0.9
Consensus LogP
-0.52
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-4.19
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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