CAS RN: 1860033-49-3
2-Azetidinecarboxylic acid, 3,3-dimethyl-1-methyl, (2S)-
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.20250109 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1860033-49-3
- Purity/Analytical Methods: >99.0%
1860033-49-3 / (2S)-1,3,3-trimethylazetidine-2-carboxylic acid
Basic Information
CAS
1860033-49-3
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC1(CN([C@@H]1C(=O)O)C)C
InChI
InChI=1S/C7H13NO2/c1-7(2)4-8(3)5(7)6(9)10/h5H,4H2,1-3H3,(H,9,10)/t5-/m1/s1
InChIKey
HXNVUABYXPERHK-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.83
TPSA
40.54
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
-1.4
Consensus LogP
-0.21
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.3
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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