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CAS 105500-33-2 ethyl (R)-2-acetamidobutanoate molecular structure lightbox
CAS RN: 105500-33-2

ethyl (R)-2-acetamidobutanoate

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINR926524
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105500-33-2 / ethyl (2R)-2-acetamidobutanoate

(R)-Ethyl 2-acetamidobutanoate | (R)-Ethyl2-acetamidobutanoate

Standard CAS: 105500-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105500-33-2
Multi CAS
No
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
SMILES
CC[C@H](C(=O)OCC)NC(=O)C
InChI
InChI=1S/C8H15NO3/c1-4-7(9-6(3)10)8(11)12-5-2/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKey
BCHLEBVLGROTNV-SSDOTTSWSA-N
Synonyms
(R)-Ethyl 2-acetamidobutanoate (R)-Ethyl2-acetamidobutanoate

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.53
TPSA
55.4

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.45

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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