CAS RN: 1315054-87-5
(R)-3-Hydroxy-N,N-diMethylpyrrolidine-1-carboxaMide
- Product code: SSC-038644
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1315054-87-5 / (3R)-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide
Basic Information
CAS
1315054-87-5
Multi CAS
No
Molecular Formula
C7H14N2O2
Molecular Weight
158.200000
Exact Mass
158.105528
SMILES
CN(C)C(=O)N1CC[C@H](C1)O
InChI
InChI=1S/C7H14N2O2/c1-8(2)7(11)9-4-3-6(10)5-9/h6,10H,3-5H2,1-2H3/t6-/m1/s1
InChIKey
UKRFCLBYZOKZQJ-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.28
TPSA
43.78
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.8
Consensus LogP
-0.44
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-3.87
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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