CAS RN: 71884-56-5

D-Proline, 1-glycyl- (9CI)

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  • Product code: starshine_CAS71884-56-5
  • Purity/Analytical Methods: >99.0%
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71884-56-5 / 1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

Standard CAS: 71884-56-5 Multi CAS: Yes

Basic Information

CAS
71884-56-5
Multi CAS
Yes
Molecular Formula
C7H12N2O3
Molecular Weight
172.180000
Exact Mass
172.084792
InChI
InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
InChIKey
KZNQNBZMBZJQJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.43
TPSA
83.63

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.87
XLogP3
-3.1
Consensus LogP
-1.65
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47

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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