CAS RN: 103550-87-4
Methyl 2-Amino-4-methylpent-4-enoate
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.20260616 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS103550-87-4
- Purity/Analytical Methods: >99.0%
103550-87-4 / methyl 2-amino-4-methylpent-4-enoate
methyl 2-amino-4-methylpent-4-enoate | methyl 2-amino-4-methyl-4-pentenoate | Methyl 2-amino-4-methyl-pent-4-enoate
Basic Information
CAS
103550-87-4
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC(=C)CC(C(=O)OC)N
InChI
InChI=1S/C7H13NO2/c1-5(2)4-6(8)7(9)10-3/h6H,1,4,8H2,2-3H3
InChIKey
SQOGQAXYGUHWIR-UHFFFAOYSA-N
Synonyms
methyl 2-amino-4-methylpent-4-enoate
methyl 2-amino-4-methyl-4-pentenoate
Methyl 2-amino-4-methyl-pent-4-enoate
SCHEMBL10458343
SQOGQAXYGUHWIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.42
TPSA
52.32
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
1
Consensus LogP
0.61
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
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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