CAS RN: 3790-51-0
H-ASP-GLY-OH
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS3790-51-0
- Purity/Analytical Methods: >99.0%
3790-51-0 / (3S)-3-amino-4-(carboxymethylamino)-4-oxobutanoic acid
Basic Information
CAS
3790-51-0
Multi CAS
Yes
Molecular Formula
C6H10N2O5
Molecular Weight
190.150000
Exact Mass
190.058971
InChI
InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
InChIKey
JHFNSBBHKSZXKB-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
40.87
TPSA
129.72
LogP / Solubility
WLOGP
-2.01
MLOGP
-1.77
XLogP3
-4.5
Consensus LogP
-2.76
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.17
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)
-5.31
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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