CAS RN: 1932255-43-0
2-Azetidinecarboxylic acid, 3-methyl-, (2S,3R)-
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.20250123 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1932255-43-0
- Purity/Analytical Methods: >99.0%
1932255-43-0 / (2S,3R)-3-methylazetidine-2-carboxylic acid
Basic Information
CAS
1932255-43-0
Multi CAS
No
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
SMILES
C[C@@H]1CN[C@@H]1C(=O)O
InChI
InChI=1S/C5H9NO2/c1-3-2-6-4(3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChIKey
WDWMCQMMMOWQAP-DMTCNVIQSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.59
TPSA
49.33
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-2.3
Consensus LogP
-0.97
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very 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)
-3.65
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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