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CAS 311341-93-2 (1R,2R)-ethyl 2-aMinocyclopentanecarboxylate hydrochloride molecular structure lightbox
CAS RN: 311341-93-2

(1R,2R)-ethyl 2-aMinocyclopentanecarboxylate hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS311341-93-2
  • Purity/Analytical Methods: >99.0%
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311341-93-2 / ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride

Standard CAS: 311341-93-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
311341-93-2
Multi CAS
Yes
Molecular Formula
C8H16CLNO2
Molecular Weight
193.670000
Exact Mass
193.086956
InChI
InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)6-4-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7-;/m1./s1
InChIKey
RYBMXCZWUCHLJB-ZJLYAJKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.2
TPSA
52.32

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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