CAS RN: 114745-46-9
(1R,2R)-ethyl 2-aMinocyclopentanecarboxylate
- Product code: SSC-014473
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
114745-46-9 / trans-ethyl (1R,2R)-2-aminocyclopentane-1-carboxylate
(1R,2R)-Ethyl 2-aminocyclopentanecarboxylate | Ethyl (1R,2R)-2-Aminocyclopentanecarboxylate | ethyl (1R,2R)-2-aminocyclopentane-1-carboxylate
Basic Information
CAS
114745-46-9
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CCOC(=O)[C@@H]1CCC[C@H]1N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5,9H2,1H3/t6-,7-/m1/s1
InChIKey
AGCJYTRMZBPEEO-RNFRBKRXSA-N
Synonyms
(1R,2R)-Ethyl 2-aminocyclopentanecarboxylate
Ethyl (1R,2R)-2-Aminocyclopentanecarboxylate
ethyl (1R,2R)-2-aminocyclopentane-1-carboxylate
MFCD20719057
ethyl trans-2-aminocyclopentanecarboxylate
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.95
TPSA
52.32
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
1
Consensus LogP
0.76
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.2
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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