CAS RN: 773099-73-3
1-Cyclopentene-1-carboxylicacid,2-amino-
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.20250113 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS773099-73-3
- Purity/Analytical Methods: >99.0%
773099-73-3 / 2-aminocyclopentene-1-carboxylic acid
Basic Information
CAS
773099-73-3
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
InChI
InChI=1S/C6H9NO2/c7-5-3-1-2-4(5)6(8)9/h1-3,7H2,(H,8,9)
InChIKey
IEENBFOXBSLDSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.7
TPSA
63.32
LogP / Solubility
WLOGP
0.47
MLOGP
0.4
XLogP3
0.6
Consensus LogP
0.49
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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