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CAS 5910-56-5 3-[(2,2-DIMETHYLPROPANOYL)AMINO]PROPANOIC ACID molecular structure lightbox
CAS RN: 5910-56-5

3-[(2,2-DIMETHYLPROPANOYL)AMINO]PROPANOIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5910-56-5
  • Purity/Analytical Methods: >99.0%
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5910-56-5 / 3-(2,2-dimethylpropanoylamino)propanoic acid

Standard CAS: 5910-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5910-56-5
Multi CAS
No
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
InChI
InChI=1S/C8H15NO3/c1-8(2,3)7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKey
TYDIQYQCSVGLNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.72
TPSA
66.4

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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