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CAS 138650-25-6 3-aminoazetidine-3-carboxylic acid molecular structure lightbox
CAS RN: 138650-25-6

3-aminoazetidine-3-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-048633
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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 138650-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

138650-25-6 / 3-aminoazetidine-3-carboxylic acid

Standard CAS: 138650-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138650-25-6
Multi CAS
No
Molecular Formula
C4H8N2O2
Molecular Weight
116.120000
Exact Mass
116.058578
SMILES
C1C(CN1)(C(=O)O)N
InChI
InChI=1S/C4H8N2O2/c5-4(3(7)8)1-6-2-4/h6H,1-2,5H2,(H,7,8)
InChIKey
DFSBPJSOVRGSTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
27.42
TPSA
75.35

LogP / Solubility

WLOGP
-1.63
MLOGP
-1.44
XLogP3
-4.2
Consensus LogP
-2.42
Log S (ESOL)
0.53
Class (ESOL)
Highly soluble
Log S (Ali)
0.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.82
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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