CAS RN: 1694344-90-5
1-amino-3-methylcyclobutane-1-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.20250606 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1694344-90-5
- Purity/Analytical Methods: >99.0%
1694344-90-5 / 1-amino-3-methylcyclobutane-1-carboxylic acid
Basic Information
CAS
1694344-90-5
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
CC1CC(C1)(C(=O)O)N
InChI
InChI=1S/C6H11NO2/c1-4-2-6(7,3-4)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey
KYEVJUNRHIMXRP-UHFFFAOYSA-N
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
32.95
TPSA
63.32
LogP / Solubility
WLOGP
0.2
MLOGP
0.17
XLogP3
-2.3
Consensus LogP
-0.64
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-3.37
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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