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 | Hong Kong | Inquiry |
119329-48-5 / 3-amino-1-methylpyrrolidin-2-one
(S)-3-AMINO-1-METHYL-PYRROLIDIN-2-ONE | (3S)-3-amino-1-methylpyrrolidin-2-one | MFCD18432647
Basic Information
CAS
119329-48-5
Multi CAS
Yes
Molecular Formula
C5H10N2O
Molecular Weight
114.150000
Exact Mass
114.079313
SMILES
CN1CCC(C1=O)N
InChI
InChI=1S/C5H10N2O/c1-7-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3
InChIKey
VZDMTWJWRRUJED-UHFFFAOYSA-N
Synonyms
(S)-3-AMINO-1-METHYL-PYRROLIDIN-2-ONE
(3S)-3-amino-1-methylpyrrolidin-2-one
MFCD18432647
(S)-3-amino-1-methylpyrrolidin-2-one
SCHEMBL13435229
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.23
TPSA
46.33
LogP / Solubility
WLOGP
-0.82
MLOGP
-0.74
XLogP3
-1
Consensus LogP
-0.85
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.28
Class (SILICOS-IT)
Highly 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)
-4
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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