CAS RN: 2133-35-9

L-AZETIDINE-2-CARBOXYLIC ACID HCL

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Batchno.20260216 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2133-35-9
  • Purity/Analytical Methods: >99.0%
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2133-35-9 / (2S)-azetidine-2-carboxylic acid;hydrochloride

Standard CAS: 2133-35-9 Multi CAS: No

Basic Information

CAS
2133-35-9
Multi CAS
No
Molecular Formula
C4H8ClNO2
Molecular Weight
137.560000
Exact Mass
137.024356
SMILES
C1CN[C@@H]1C(=O)O.Cl
InChI
InChI=1S/C4H7NO2.ClH/c6-4(7)3-1-2-5-3;/h3,5H,1-2H2,(H,6,7);1H/t3-;/m0./s1
InChIKey
LPAHPJVNLPAUNC-DFWYDOINSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.29
TPSA
49.33

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.14
XLogP3
-0.15
Consensus LogP
-0.15
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-3.66

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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