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CAS 1408076-40-3 (3-AMinocyclobutyl)acetic acid molecular structure lightbox
CAS RN: 1408076-40-3

(3-AMinocyclobutyl)acetic acid

  • Product code: SSC-051370
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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 1408076-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1408076-40-3 / 2-(3-aminocyclobutyl)acetic acid

Standard CAS: 1408076-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408076-40-3
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C1C(CC1N)CC(=O)O
InChI
InChI=1S/C6H11NO2/c7-5-1-4(2-5)3-6(8)9/h4-5H,1-3,7H2,(H,8,9)
InChIKey
JZOKIDHQIVAHON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.95
TPSA
63.32

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
-2.7
Consensus LogP
-0.78
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.37

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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