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CAS 109428-53-7 2-Azabicyclo[3.3.0]octane-3-carboxylic acid molecular structure lightbox
CAS RN: 109428-53-7

2-Azabicyclo[3.3.0]octane-3-carboxylic acid

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250626 100mg In stock Shanghai Inquiry
Batchno.20250101 1g In stock Shanghai Inquiry
Batchno.20250919 250mg In stock Shanghai Inquiry
Batchno.20260516 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251030 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-010742
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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 109428-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

109428-53-7 / (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

Abo-cooh | 2-Azabicyclo(3.3.0)octane-3-carboxylic acid | 2-Azabicyclo[3.3.0]octane-3-carboxylic acid

Standard CAS: 109428-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109428-53-7
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1
InChIKey
OQHKEWIEKYQINX-ACZMJKKPSA-N
Synonyms
Abo-cooh 2-Azabicyclo(3.3.0)octane-3-carboxylic acid 2-Azabicyclo[3.3.0]octane-3-carboxylic acid RefChem:85511 (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.31
TPSA
49.33

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
-1.6
Consensus LogP
-0.16
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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