CAS RN: 788819-12-5
(R)-2-((tert-butoxycarbonyl)amino)-3-morpholinopropanoic acid
- Product code: SSC-188155
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 0 Out of Stock | Beijing | Inquiry |
788819-12-5 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropanoic acid
Basic Information
CAS
788819-12-5
Multi CAS
Yes
Molecular Formula
C12H22N2O5
Molecular Weight
274.310000
Exact Mass
274.152872
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(17)13-9(10(15)16)8-14-4-6-18-7-5-14/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKey
MBIZSSCBPBRSDT-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.05
TPSA
88.1
LogP / Solubility
WLOGP
0.3
MLOGP
0.27
XLogP3
-2.1
Consensus LogP
-0.51
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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