CAS RN: 505-72-6
3-(Carboxymethylamino)propanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS505-72-6
- Purity/Analytical Methods: >99.0%
505-72-6 / 3-(carboxymethylamino)propanoic acid
Basic Information
CAS
505-72-6
Multi CAS
Yes
Molecular Formula
C5H9NO4
Molecular Weight
147.130000
Exact Mass
147.053158
InChI
InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10)
InChIKey
GAUBNQMYYJLWNF-UHFFFAOYSA-N
Physical Properties
Melting Point
195 - 198 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.76
TPSA
86.63
LogP / Solubility
WLOGP
-0.86
MLOGP
-0.77
XLogP3
-3.4
Consensus LogP
-1.68
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-4.23
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
1.5
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