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CAS 80914-37-0 3-AMINO-PENTANOIC ACID HCL molecular structure lightbox
CAS RN: 80914-37-0

3-AMINO-PENTANOIC ACID HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS80914-37-0
  • Purity/Analytical Methods: >99.0%
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80914-37-0 / 3-aminopentanoic acid;hydrochloride

Standard CAS: 80914-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80914-37-0
Multi CAS
No
Molecular Formula
C5H12CLNO2
Molecular Weight
153.610000
Exact Mass
153.055656
InChI
InChI=1S/C5H11NO2.ClH/c1-2-4(6)3-5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKey
FERWBHFUQDIXNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.77
TPSA
63.32

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.62
Consensus LogP
0.59
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.22

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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