CAS RN: 1093198-33-4
(R)-Methyl 2-Amino-3-(Tert-Butoxycarbonylamino)-3-Methylbutanoate
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.20260523 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1093198-33-4
- Purity/Analytical Methods: >99.0%
1093198-33-4 / methyl (2R)-2-amino-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
methyl 2-amino-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate | SCHEMBL3008075 | methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate
Basic Information
CAS
1093198-33-4
Multi CAS
Yes
Molecular Formula
C11H22N2O4
Molecular Weight
246.300000
Exact Mass
246.157957
SMILES
CC(C)(C)OC(=O)NC(C)(C)[C@H](C(=O)OC)N
InChI
InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-11(4,5)7(12)8(14)16-6/h7H,12H2,1-6H3,(H,13,15)/t7-/m0/s1
InChIKey
UTWVEOUYCGZORL-ZETCQYMHSA-N
Synonyms
methyl 2-amino-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate
SCHEMBL3008075
methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate
UTWVEOUYCGZORL-UHFFFAOYSA-N
SB18392
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
63.44
TPSA
90.65
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.66
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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