CAS RN: 880362-02-7

(S)-3-(2-METHOXYETHOXY)PYRROLIDINE

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  • Product code: LINS927405
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880362-02-7 / (3S)-3-(2-methoxyethoxy)pyrrolidine

Standard CAS: 880362-02-7 Multi CAS: Yes

Basic Information

CAS
880362-02-7
Multi CAS
Yes
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
InChI
InChI=1S/C7H15NO2/c1-9-4-5-10-7-2-3-8-6-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKey
IUCVEPJVGGMMLK-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.1
TPSA
30.49

LogP / Solubility

WLOGP
0.01
XLogP3
-0.3
Consensus LogP
-0.1
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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