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CAS 16257-84-4 (2S,4S)-4-aminopyrrolidine-2-carboxylic acid dihydrochloride molecular structure lightbox
CAS RN: 16257-84-4

(2S,4S)-4-aminopyrrolidine-2-carboxylic acid dihydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS16257-84-4
  • Purity/Analytical Methods: >99.0%
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16257-84-4 / (2S,4S)-4-aminopyrrolidine-2-carboxylic acid;dihydrochloride

Standard CAS: 16257-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16257-84-4
Multi CAS
No
Molecular Formula
C5H12Cl2N2O2
Molecular Weight
203.060000
Exact Mass
202.027583
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)N.Cl.Cl
InChI
InChI=1S/C5H10N2O2.2ClH/c6-3-1-4(5(8)9)7-2-3;;/h3-4,7H,1-2,6H2,(H,8,9);2*1H/t3-,4-;;/m0../s1
InChIKey
YQEVKNLEXCXBHR-RGVONZFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.51
TPSA
75.35

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.35
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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