![CAS 1205676-44-3 (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1205676-44-3.gif)
CAS RN: 1205676-44-3
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-021580
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1205676-44-3 / (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid;hydrochloride
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid hydrochloride | MFCD10703494 | (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid;hydrochloride
Basic Information
CAS
1205676-44-3
Multi CAS
Yes
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O.Cl
InChI
InChI=1S/C8H13NO2.ClH/c10-8(11)7-6-3-1-2-5(6)4-9-7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6-,7-;/m0./s1
InChIKey
MIIHGYVJEBVNQB-MKXDVQRUSA-N
Synonyms
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid hydrochloride
MFCD10703494
(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid;hydrochloride
(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid hydrochloride
SCHEMBL2743371
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.51
TPSA
49.33
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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