CAS RN: 19701-85-0
2-Pyrrolidinecarboxamide,1-acetyl-N-methyl-,(2S)-(9CI)
- Product code: SSC-092943
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 | Shanghai | Inquiry |
19701-85-0 / (2S)-1-acetyl-N-methylpyrrolidine-2-carboxamide
Basic Information
CAS
19701-85-0
Multi CAS
No
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
SMILES
CC(=O)N1CCC[C@H]1C(=O)NC
InChI
InChI=1S/C8H14N2O2/c1-6(11)10-5-3-4-7(10)8(12)9-2/h7H,3-5H2,1-2H3,(H,9,12)/t7-/m0/s1
InChIKey
DPDXFAYSYVRXMF-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.48
TPSA
49.41
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
-1.2
Consensus LogP
-0.56
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-3.94
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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