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CAS 1212157-09-9 (1r,3r,5r)-rel-2-azabicyclo[3.1.0]hexane-3-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1212157-09-9

(1r,3r,5r)-rel-2-azabicyclo[3.1.0]hexane-3-carboxylic acid hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1212157-09-9
  • Purity/Analytical Methods: >99.0%
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1212157-09-9 / (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;hydrochloride

2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID HYDROCHLORIDE | 2-azabicyclo[3.1.0]hexane-3-carboxylic acid;hydrochloride | SCHEMBL20790983

Standard CAS: 1212157-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212157-09-9
Multi CAS
Yes
Molecular Formula
C6H10ClNO2
Molecular Weight
163.600000
Exact Mass
163.040006
SMILES
C1[C@H]2[C@@H]1N[C@H](C2)C(=O)O.Cl
InChI
InChI=1S/C6H9NO2.ClH/c8-6(9)5-2-3-1-4(3)7-5;/h3-5,7H,1-2H2,(H,8,9);1H/t3-,4-,5-;/m1./s1
InChIKey
SQFNKGNUVXRNFR-DEVUXVJFSA-N
Synonyms
2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID HYDROCHLORIDE 2-azabicyclo[3.1.0]hexane-3-carboxylic acid;hydrochloride SCHEMBL20790983 2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID HCL SB12096

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.32
TPSA
49.33

LogP / Solubility

WLOGP
0.24
MLOGP
0.21
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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