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CAS 71985-79-0 Pyrrolidin-2-yl-acetic acid hydrochloride molecular structure lightbox
CAS RN: 71985-79-0

Pyrrolidin-2-yl-acetic acid hydrochloride

  • Product code: SSC-181492
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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 71985-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

71985-79-0 / 2-pyrrolidin-2-ylacetic acid;hydrochloride

Standard CAS: 71985-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71985-79-0
Multi CAS
No
Molecular Formula
C6H12CLNO2
Molecular Weight
165.620000
Exact Mass
165.055656
InChI
InChI=1S/C6H11NO2.ClH/c8-6(9)4-5-2-1-3-7-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKey
VQDACVOAOJQTPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.53
TPSA
49.33

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.63
Consensus LogP
0.6
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.28

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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