CAS RN: 10148-70-6
(2S,3S)-2-Amino-3-hydroxy-4-methylpentanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINS898689
10148-70-6 / (2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
(2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid | beta-Hydroxyleucine | DTXSID90426396
Basic Information
CAS
10148-70-6
Multi CAS
Yes
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
SMILES
CC(C)[C@@H]([C@@H](C(=O)O)N)O
InChI
InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1
InChIKey
ZAYJDMWJYCTABM-WHFBIAKZSA-N
Synonyms
(2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
beta-Hydroxyleucine
DTXSID90426396
L-Leucine, 3-hydroxy-
RefChem:208281
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.46
TPSA
83.55
LogP / Solubility
WLOGP
-0.58
MLOGP
-0.52
XLogP3
-2
Consensus LogP
-1.03
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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