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CAS 468061-05-4 (2r,3s)-3-hydroxypyrrolidine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 468061-05-4

(2r,3s)-3-hydroxypyrrolidine-2-carboxylic acid hydrochloride

  • Product code: SSC-154001
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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: 3
  • 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 468061-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

468061-05-4 / 3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride

Standard CAS: 468061-05-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
468061-05-4
Multi CAS
Yes
Molecular Formula
C5H10CLNO3
Molecular Weight
167.590000
Exact Mass
167.034921
InChI
InChI=1S/C5H9NO3.ClH/c7-3-1-2-6-4(3)5(8)9;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4+;/m0./s1
InChIKey
HHFGQFQJUWOFCN-RFKZQXLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.3
TPSA
69.56

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.78
Consensus LogP
-0.75
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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