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CAS 122022-92-8 cis-2- Amino-3-cyclopentene-1-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 122022-92-8

cis-2- Amino-3-cyclopentene-1-carboxylic acid hydrochloride

  • Product code: SSC-024968
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122022-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

122022-92-8 / (1R,2S)-2-aminocyclopent-3-ene-1-carboxylic acid;hydrochloride

Standard CAS: 122022-92-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122022-92-8
Multi CAS
No
Molecular Formula
C6H10ClNO2
Molecular Weight
163.600000
Exact Mass
163.040006
SMILES
C1C=C[C@@H]([C@@H]1C(=O)O)N.Cl
InChI
InChI=1S/C6H9NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h1,3-5H,2,7H2,(H,8,9);1H/t4-,5+;/m1./s1
InChIKey
NJIAFLWOIUSOSY-JBUOLDKXSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.11
TPSA
63.32

LogP / Solubility

WLOGP
0.4
MLOGP
0.34
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.44

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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