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CAS RN: 1431699-60-3
(R)-2-ethylpyrrolidine-2-carboxylic acid (hydrochloride)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1431699-60-3
- Purity/Analytical Methods: >99.0%
1431699-60-3 / (2R)-2-ethylpyrrolidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
1431699-60-3
Multi CAS
No
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
CC[C@@]1(CCCN1)C(=O)O.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-2-7(6(9)10)4-3-5-8-7;/h8H,2-5H2,1H3,(H,9,10);1H/t7-;/m1./s1
InChIKey
GSRIGVRKLONTDM-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.14
TPSA
49.33
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1.02
Consensus LogP
0.98
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.09
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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