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CAS 18325-18-3 3-Pyrrolidin-2-yl-propionic acid molecular structure lightbox
CAS RN: 18325-18-3

3-Pyrrolidin-2-yl-propionic acid

  • Product code: SSC-084776
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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: 0.05g, 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 18325-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry
10g >95% 2 In Stock Beijing Inquiry

18325-18-3 / 3-pyrrolidin-2-ylpropanoic acid

Standard CAS: 18325-18-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18325-18-3
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
C1CC(NC1)CCC(=O)O
InChI
InChI=1S/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)
InChIKey
HIDODKLFTVMWQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.89
TPSA
49.33

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
-2.1
Consensus LogP
-0.33
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.17

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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