CAS RN: 147650-70-2

(S)-Piperazine-2-carboxylic acid

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Batchno.20260209 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS147650-70-2
  • Purity/Analytical Methods: >99.0%
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147650-70-2 / (2S)-piperazine-2-carboxylic acid

Standard CAS: 147650-70-2 Multi CAS: No

Basic Information

CAS
147650-70-2
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
SMILES
C1CN[C@@H](CN1)C(=O)O
InChI
InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKey
JSSXHAMIXJGYCS-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.3
TPSA
61.36

LogP / Solubility

WLOGP
-1.37
MLOGP
-1.21
XLogP3
-3.5
Consensus LogP
-2.03
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.51
Class (SILICOS-IT)
Highly 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)
-4.48

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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