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CAS 1222503-25-4 3-Methylpyrrolidine-3-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1222503-25-4

3-Methylpyrrolidine-3-carboxylic acid hydrochloride

  • Product code: SSC-025232
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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 1222503-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1222503-25-4 / 3-methylpyrrolidine-3-carboxylic acid;hydrochloride

Standard CAS: 1222503-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1222503-25-4
Multi CAS
No
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
CC1(CCNC1)C(=O)O.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-6(5(8)9)2-3-7-4-6;/h7H,2-4H2,1H3,(H,8,9);1H
InChIKey
IYAXHUVEAMLCRL-UHFFFAOYSA-N

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
40.48
TPSA
49.33

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.38

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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