CAS RN: 18625-22-4
D-Leucylglycylglycine
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: ICTL0031
- Purity/Analytical Methods: >98.0%(T)(HPLC)
18625-22-4 / 2-[[2-[[(2R)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetic acid
Basic Information
CAS
18625-22-4
Multi CAS
No
Molecular Formula
C10H19N3O4
Molecular Weight
245.280000
Exact Mass
245.137556
SMILES
CC(C)C[C@H](C(=O)NCC(=O)NCC(=O)O)N
InChI
InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m1/s1
InChIKey
VWHGTYCRDRBSFI-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
61.09
TPSA
121.52
LogP / Solubility
WLOGP
-1.32
MLOGP
-1.16
XLogP3
-3
Consensus LogP
-1.83
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
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)
-5.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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