CAS RN: 1188-01-8
DL-Alanylglycine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-018897
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 | Hong Kong | Inquiry |
1188-01-8 / 2-(2-aminopropanoylamino)acetic acid
Alanylglycine | RefChem:915351 | Dl-alanyl-glycine
Basic Information
CAS
1188-01-8
Multi CAS
Yes
Molecular Formula
C5H10N2O3
Molecular Weight
146.140000
Exact Mass
146.069142
SMILES
CC(C(=O)NCC(=O)O)N
InChI
InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
InChIKey
CXISPYVYMQWFLE-UHFFFAOYSA-N
Synonyms
Alanylglycine
RefChem:915351
Dl-alanyl-glycine
DL-Alanylglycine
2-(2-aminopropanamido)acetic acid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.29
TPSA
92.42
LogP / Solubility
WLOGP
-1.47
MLOGP
-1.3
XLogP3
-3.7
Consensus LogP
-2.16
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
