CAS RN: 350230-37-4
(R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid hydrate
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.20250207 | 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR899757
350230-37-4 / (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
Basic Information
CAS
350230-37-4
Multi CAS
Yes
Molecular Formula
C8H17NO6
Molecular Weight
223.220000
Exact Mass
223.105587
InChI
InChI=1S/C8H15NO5.H2O/c1-8(2,3)14-7(13)9-5(4-10)6(11)12;/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);1H2/t5-;/m1./s1
InChIKey
JLIWGTMHYWJUPM-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.49
TPSA
127.36
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.76
XLogP3
-0.87
Consensus LogP
-0.83
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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