![CAS 1442483-69-3 3-Piperidinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, methyl ester, (αS,3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1442483-69-3.gif)
CAS RN: 1442483-69-3
3-Piperidinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, methyl ester, (αS,3S)-
- Product code: SSC-055457
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1442483-69-3 / methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
Basic Information
CAS
1442483-69-3
Multi CAS
No
Molecular Formula
C14H24N2O5
Molecular Weight
300.350000
Exact Mass
300.168522
SMILES
CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)OC
InChI
InChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-10(12(18)20-4)8-9-6-5-7-15-11(9)17/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,19)/t9-,10-/m0/s1
InChIKey
KTOOVWCZIOIVDS-UWVGGRQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
75.52
TPSA
93.73
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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