CAS RN: 197632-83-0
N-Me-Ser(Tbu)-OH
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.20260404 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN895162
197632-83-0 / (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Basic Information
CAS
197632-83-0
Multi CAS
No
Molecular Formula
C8H17NO3
Molecular Weight
175.230000
Exact Mass
175.120843
SMILES
CC(C)(C)OC[C@@H](C(=O)O)NC
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-5-6(9-4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKey
DLTSMSCPUUWYDX-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.19
TPSA
58.56
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
-2
Consensus LogP
-0.37
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.45
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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