CAS RN: 7554-90-7
2-amino-3-(oxaloamino)propanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250824 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS7554-90-7
- Purity/Analytical Methods: >99.0%
7554-90-7 / 2-amino-3-(oxaloamino)propanoic acid
Basic Information
CAS
7554-90-7
Multi CAS
Yes
Molecular Formula
C5H8N2O5
Molecular Weight
176.130000
Exact Mass
176.043321
InChI
InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
NEEQFPMRODQIKX-UHFFFAOYSA-N
Physical Properties
Melting Point
206 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
36.26
TPSA
129.72
LogP / Solubility
WLOGP
-2.4
MLOGP
-2.12
XLogP3
-4.1
Consensus LogP
-2.87
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
0.73
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.83
Class (SILICOS-IT)
Highly 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)
-5.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
