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CAS 89203-64-5 3-Pyrrolidineacetic acid molecular structure lightbox
CAS RN: 89203-64-5

3-Pyrrolidineacetic acid

  • Product code: SSC-201091
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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 89203-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

89203-64-5 / 2-[(3R)-pyrrolidin-3-yl]acetic acid

Standard CAS: 89203-64-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89203-64-5
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKey
OUENRUZPZZFMCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.23
TPSA
49.33

LogP / Solubility

WLOGP
0.07
MLOGP
0.05
XLogP3
-2.6
Consensus LogP
-0.83
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.46

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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