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CAS 2227204-82-0 2-amino-3-cyclopropylpropanamide hydrochloride molecular structure lightbox
CAS RN: 2227204-82-0

2-amino-3-cyclopropylpropanamide hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2227204-82-0
  • Purity/Analytical Methods: >99.0%
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2227204-82-0 / 2-amino-3-cyclopropylpropanamide;hydrochloride

Standard CAS: 2227204-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2227204-82-0
Multi CAS
No
Molecular Formula
C6H13ClN2O
Molecular Weight
164.630000
Exact Mass
164.071641
SMILES
C1CC1CC(C(=O)N)N.Cl
InChI
InChI=1S/C6H12N2O.ClH/c7-5(6(8)9)3-4-1-2-4;/h4-5H,1-3,7H2,(H2,8,9);1H
InChIKey
YAQPSRBIDXJQCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.76
TPSA
69.11

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
XLogP3
0.02
Consensus LogP
0.02
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
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)
-3.71

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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