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CAS 196601-67-9 (R)-2-Acetylamino-3-methoxy-propionic acid molecular structure lightbox
CAS RN: 196601-67-9

(R)-2-Acetylamino-3-methoxy-propionic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS196601-67-9
  • Purity/Analytical Methods: >99.0%
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196601-67-9 / (2R)-2-acetamido-3-methoxypropanoic acid

Standard CAS: 196601-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196601-67-9
Multi CAS
No
Molecular Formula
C6H11NO4
Molecular Weight
161.160000
Exact Mass
161.068808
SMILES
CC(=O)N[C@H](COC)C(=O)O
InChI
InChI=1S/C6H11NO4/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m1/s1
InChIKey
SDNGNSKFWTZCJG-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.12
TPSA
75.63

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.69
XLogP3
-1
Consensus LogP
-0.82
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.26

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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