CAS RN: 1780622-97-0
6-methylmorpholine-2-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.20260515 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1780622-97-0
- Purity/Analytical Methods: >99.0%
1780622-97-0 / 6-methylmorpholine-2-carboxylic acid
Basic Information
CAS
1780622-97-0
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
CC1CNCC(O1)C(=O)O
InChI
InChI=1S/C6H11NO3/c1-4-2-7-3-5(10-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKey
PTEJYZZFUJQPJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.84
TPSA
58.56
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.49
XLogP3
-2.8
Consensus LogP
-1.28
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
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)
-4
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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