CAS RN: 1932347-35-7
(2S,5R)-1,5-dimethylpyrrolidine-2-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250415 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1932347-35-7
- Purity/Analytical Methods: >99.0%
1932347-35-7 / (2S,5R)-1,5-dimethylpyrrolidine-2-carboxylic acid
Basic Information
CAS
1932347-35-7
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
C[C@@H]1CC[C@H](N1C)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-5-3-4-6(7(9)10)8(5)2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKey
ZCTCGHJSSSKJHU-RITPCOANSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.88
TPSA
40.54
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
-1.5
Consensus LogP
-0.16
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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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