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CAS 90609-07-7 3-Pyrrolidinecarboxylic acid, 4,4-diMethyl-2-oxo-, ethyl ester molecular structure lightbox
CAS RN: 90609-07-7

3-Pyrrolidinecarboxylic acid, 4,4-diMethyl-2-oxo-, ethyl ester

  • Product code: SSC-203167
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90609-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

90609-07-7 / ethyl 4,4-dimethyl-2-oxopyrrolidine-3-carboxylate

Standard CAS: 90609-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90609-07-7
Multi CAS
No
Molecular Formula
C9H15NO3
Molecular Weight
185.220000
Exact Mass
185.105193
InChI
InChI=1S/C9H15NO3/c1-4-13-8(12)6-7(11)10-5-9(6,2)3/h6H,4-5H2,1-3H3,(H,10,11)
InChIKey
NLXAIUZFENMMEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.91
TPSA
55.4

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.9
Consensus LogP
0.5
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.62

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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