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CAS 1134289-71-6 5-oxo-3-Pyrrolidineacetic acid Methyl ester molecular structure lightbox
CAS RN: 1134289-71-6

5-oxo-3-Pyrrolidineacetic acid Methyl ester

  • Product code: SSC-013550
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1134289-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 3 In Stock Hong Kong Inquiry

1134289-71-6 / methyl 2-(5-oxopyrrolidin-3-yl)acetate

Methyl 5-Oxopyrrolidine-3-acetate | methyl 2-(5-oxopyrrolidin-3-yl)acetate | MFCD24556952

Standard CAS: 1134289-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134289-71-6
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
COC(=O)CC1CC(=O)NC1
InChI
InChI=1S/C7H11NO3/c1-11-7(10)3-5-2-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKey
KCRPSYVMIGBSJY-UHFFFAOYSA-N
Synonyms
Methyl 5-Oxopyrrolidine-3-acetate methyl 2-(5-oxopyrrolidin-3-yl)acetate MFCD24556952 Methyl 5-oxo-3-pyrrolidineacetate 3-Pyrrolidineacetic acid, 5-oxo-, methyl ester

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.75
TPSA
55.4

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.28
XLogP3
-0.7
Consensus LogP
-0.43
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
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)
-3.9

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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