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CAS 1330286-49-1 (1R,3S)-3-Aminocyclopentanecarboxylic acid molecular structure lightbox
CAS RN: 1330286-49-1

(1R,3S)-3-Aminocyclopentanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1330286-49-1
  • Purity/Analytical Methods: >99.0%
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1330286-49-1 / (2S)-2-amino-5-methylhexanoic acid;hydrochloride

Standard CAS: 1330286-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330286-49-1
Multi CAS
No
Molecular Formula
C7H16ClNO2
Molecular Weight
181.660000
Exact Mass
181.086956
SMILES
CC(C)CC[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)3-4-6(8)7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1
InChIKey
FQKANUHWZITUKA-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.93
TPSA
63.32

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.94

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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