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CAS 19653-78-2 N-ME-L-2-AMINOVALERIC ACID molecular structure lightbox
CAS RN: 19653-78-2

N-ME-L-2-AMINOVALERIC ACID

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Batchno.20250203 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19653-78-2
  • Purity/Analytical Methods: >99.0%
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19653-78-2 / (2S)-2-(methylamino)pentanoic acid

Standard CAS: 19653-78-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19653-78-2
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CCC[C@@H](C(=O)O)NC
InChI
InChI=1S/C6H13NO2/c1-3-4-5(7-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey
HCPKYUNZBPVCHC-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.39
TPSA
49.33

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-1.6
Consensus LogP
-0.25
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.37
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)
-3.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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