CAS RN: 4746-62-7

aminohydroxyacetic acid

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  • Product code: starshine_CAS4746-62-7
  • Purity/Analytical Methods: >99.0%
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4746-62-7 / 2-amino-2-hydroxyacetic acid

Standard CAS: 4746-62-7 Multi CAS: No

Basic Information

CAS
4746-62-7
Multi CAS
No
Molecular Formula
C2H5NO3
Molecular Weight
91.070000
Exact Mass
91.026943
InChI
InChI=1S/C2H5NO3/c3-1(4)2(5)6/h1,4H,3H2,(H,5,6)
InChIKey
ZHWLPDIRXJCEJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
17.83
TPSA
83.55

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.47
XLogP3
-4
Consensus LogP
-2.37
Log S (ESOL)
0.7
Class (ESOL)
Highly soluble
Log S (Ali)
0.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1
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)
-4.45

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

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