CAS RN: 1089340-69-1
3-Hydroxy-cyclobutanecarboxylic acid methylamide
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.20251005 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1089340-69-1
- Purity/Analytical Methods: >99.0%
1089340-69-1 / 3-hydroxy-N-methylcyclobutane-1-carboxamide
3-Hydroxy-cyclobutanecarboxylic acid methylamide | 3-hydroxy-N-methylcyclobutane-1-carboxamide | 3-Hydroxy-N-methylcyclobutanecarboxamide
Basic Information
CAS
1089340-69-1
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
CNC(=O)C1CC(C1)O
InChI
InChI=1S/C6H11NO2/c1-7-6(9)4-2-5(8)3-4/h4-5,8H,2-3H2,1H3,(H,7,9)
InChIKey
FUCXEXSXVHMUSJ-UHFFFAOYSA-N
Synonyms
3-Hydroxy-cyclobutanecarboxylic acid methylamide
3-hydroxy-N-methylcyclobutane-1-carboxamide
3-Hydroxy-N-methylcyclobutanecarboxamide
MFCD11501028
3-Hydroxycyclobutanecarboxylic acid methylamide
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.8
TPSA
49.33
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.6
Consensus LogP
-0.52
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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