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CAS 140170-82-7 ethyl (R)-2-aminobutanoate molecular structure lightbox
CAS RN: 140170-82-7

ethyl (R)-2-aminobutanoate

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINR926523
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140170-82-7 / ethyl (2R)-2-aminobutanoate

Standard CAS: 140170-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140170-82-7
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
CC[C@H](C(=O)OCC)N
InChI
InChI=1S/C6H13NO2/c1-3-5(7)6(8)9-4-2/h5H,3-4,7H2,1-2H3/t5-/m1/s1
InChIKey
KXSBWGSJFSEIED-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.9
TPSA
52.32

LogP / Solubility

WLOGP
0.29
MLOGP
0.24
XLogP3
0.5
Consensus LogP
0.34
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
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)
-3.32

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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