CAS RN: 1013921-14-6
1-((S)-3-AMino-pyrrolidin-1-yl)-ethanone
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.20250219 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1013921-14-6
- Purity/Analytical Methods: >99.0%
1013921-14-6 / 1-[(3S)-3-aminopyrrolidin-1-yl]ethanone
1-(3-AMINOPYRROLIDIN-1-YL)ETHAN-1-ONE | RefChem:423346 | 862-714-6
Basic Information
CAS
1013921-14-6
Multi CAS
Yes
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
CC(=O)N1CC[C@@H](C1)N
InChI
InChI=1S/C6H12N2O/c1-5(9)8-3-2-6(7)4-8/h6H,2-4,7H2,1H3/t6-/m0/s1
InChIKey
QTFVAHXVSVHNQR-LURJTMIESA-N
Synonyms
1-(3-AMINOPYRROLIDIN-1-YL)ETHAN-1-ONE
RefChem:423346
862-714-6
1-Acetyl-3-Aminopyrrolidine
1-(3-aminopyrrolidin-1-yl)ethanone
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.85
TPSA
46.33
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.39
XLogP3
-1
Consensus LogP
-0.61
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.81
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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