![CAS 2165825-89-6 (3R)-1-oxo-2-azaspiro[4.5]decane-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2165825-89-6.png)
CAS RN: 2165825-89-6
(3R)-1-oxo-2-azaspiro[4.5]decane-3-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.20260202 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2165825-89-6
- Purity/Analytical Methods: >99.0%
2165825-89-6 / (3R)-1-oxo-2-azaspiro[4.5]decane-3-carboxylic acid
Basic Information
CAS
2165825-89-6
Multi CAS
No
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
C1CCC2(CC1)C[C@@H](NC2=O)C(=O)O
InChI
InChI=1S/C10H15NO3/c12-8(13)7-6-10(9(14)11-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
YATIBHHZINOUNN-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.7
TPSA
66.4
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
1.2
Consensus LogP
0.97
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.28
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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