![CAS 1349199-65-0 tert-Butyl 3-amino-1-oxa-6-azaspiro[3.3]heptane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349199-65-0.gif)
CAS RN: 1349199-65-0
tert-Butyl 3-amino-1-oxa-6-azaspiro[3.3]heptane-6-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.20260427 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1349199-65-0
- Purity/Analytical Methods: >99.0%
1349199-65-0 / tert-butyl 3-amino-1-oxa-6-azaspiro[3.3]heptane-6-carboxylate
Basic Information
CAS
1349199-65-0
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CO2)N
InChI
InChI=1S/C10H18N2O3/c1-9(2,3)15-8(13)12-5-10(6-12)7(11)4-14-10/h7H,4-6,11H2,1-3H3
InChIKey
QHBIPTXZAICDJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.47
TPSA
64.79
LogP / Solubility
WLOGP
0.33
MLOGP
0.3
XLogP3
-0.5
Consensus LogP
0.04
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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