[email protected]
CAS 1212067-49-6 rac-(3aR,6aR)-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid molecular structure lightbox
CAS RN: 1212067-49-6

rac-(3aR,6aR)-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1212067-49-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1212067-49-6 / (3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxylic acid

Rac-(3ar,6ar)-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid | rac-(3aR,6aR)-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid | RefChem:873761

Standard CAS: 1212067-49-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1212067-49-6
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
C1C[C@H]2CNC[C@]2(C1)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)8-3-1-2-6(8)4-9-5-8/h6,9H,1-5H2,(H,10,11)/t6-,8-/m0/s1
InChIKey
JTTVKCQDFDFKRG-XPUUQOCRSA-N
Synonyms
Rac-(3ar,6ar)-octahydrocyclopenta[c]pyrrole-3a-carboxylic acid rac-(3aR,6aR)-octahydrocyclopenta(c)pyrrole-3a-carboxylic acid RefChem:873761 990-601-2 rel-(3aR,6aR)-Hexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.28
TPSA
49.33

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-2.1
Consensus LogP
-0.41
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.17
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us