CAS RN: 16422-27-8
(R)-dimethyl 2-aminopentanedioate
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.20250824 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16422-27-8
- Purity/Analytical Methods: >99.0%
16422-27-8 / dimethyl (2R)-2-aminopentanedioate
Basic Information
CAS
16422-27-8
Multi CAS
No
Molecular Formula
C7H13NO4
Molecular Weight
175.180000
Exact Mass
175.084458
SMILES
COC(=O)CC[C@H](C(=O)OC)N
InChI
InChI=1S/C7H13NO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4,8H2,1-2H3/t5-/m1/s1
InChIKey
YEJSPQZHMWGIGP-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
41.24
TPSA
78.62
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.6
Consensus LogP
-0.55
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-4.19
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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