CAS RN: 1664-35-3
ethyl 1-aminocyclopentane-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1664-35-3
- Purity/Analytical Methods: >99.0%
1664-35-3 / ethyl 1-aminocyclopentane-1-carboxylate
Basic Information
CAS
1664-35-3
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CCOC(=O)C1(CCCC1)N
InChI
InChI=1S/C8H15NO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6,9H2,1H3
InChIKey
NLLGKNYQDQBMFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.02
TPSA
52.32
LogP / Solubility
WLOGP
0.82
MLOGP
0.72
XLogP3
0.6
Consensus LogP
0.71
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.1
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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