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CAS 1260604-62-3 Cyclobutanepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)- molecular structure lightbox
CAS RN: 1260604-62-3

Cyclobutanepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260604-62-3
  • Purity/Analytical Methods: >99.0%
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1260604-62-3 / (3S)-3-cyclobutyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 1260604-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260604-62-3
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1CCC1
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(7-10(14)15)8-5-4-6-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey
DSBXGUITJZILAS-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.75
TPSA
75.63

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly 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)
-2.67

Drug-likeness / Medicinal Chemistry

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

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