![CAS 1706434-87-8 2-Amino-spiro[3.5]nonane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1706434-87-8.gif)
CAS RN: 1706434-87-8
2-Amino-spiro[3.5]nonane-2-carboxylic acid
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.20260620 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1706434-87-8
- Purity/Analytical Methods: >99.0%
1706434-87-8 / 2-aminospiro[3.5]nonane-2-carboxylic acid
Basic Information
CAS
1706434-87-8
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
SMILES
C1CCC2(CC1)CC(C2)(C(=O)O)N
InChI
InChI=1S/C10H17NO2/c11-10(8(12)13)6-9(7-10)4-2-1-3-5-9/h1-7,11H2,(H,12,13)
InChIKey
ZEVOQISSNBUSTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.31
TPSA
63.32
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
-0.5
Consensus LogP
0.78
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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