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CAS 15920-93-1 3-(N-Methylamino)-L-alanine molecular structure lightbox
CAS RN: 15920-93-1

3-(N-Methylamino)-L-alanine

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 250mg In stock Inquiry
Batchno.20250528 50mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15920-93-1
  • Purity/Analytical Methods: >99.0%
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15920-93-1 / (2S)-2-amino-3-(methylamino)propanoic acid

Standard CAS: 15920-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15920-93-1
Multi CAS
No
Molecular Formula
C4H10N2O2
Molecular Weight
118.130000
Exact Mass
118.074228
SMILES
CNC[C@@H](C(=O)O)N
InChI
InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey
UJVHVMNGOZXSOZ-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.54
TPSA
75.35

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.23
XLogP3
-3.8
Consensus LogP
-2.14
Log S (ESOL)
0.5
Class (ESOL)
Highly soluble
Log S (Ali)
0.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.36
Class (SILICOS-IT)
Highly 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)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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