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CAS 682804-23-5 3-AMINO-3-CYCLOPENTYL-PROPIONIC ACID molecular structure lightbox
CAS RN: 682804-23-5

3-AMINO-3-CYCLOPENTYL-PROPIONIC ACID

  • Product code: SSC-178002
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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: 5g
  • 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 682804-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

682804-23-5 / 3-amino-3-cyclopentylpropanoic acid

Standard CAS: 682804-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
682804-23-5
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c9-7(5-8(10)11)6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)
InChIKey
SPOIBOUMGDWHCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.19
TPSA
63.32

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
-1.6
Consensus LogP
0.08
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.98

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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