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CAS 1505180-72-2 4-amino-3,3-dimethylpyrrolidin-2-one molecular structure lightbox
CAS RN: 1505180-72-2

4-amino-3,3-dimethylpyrrolidin-2-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1505180-72-2
  • Purity/Analytical Methods: >99.0%
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1505180-72-2 / 4-amino-3,3-dimethylpyrrolidin-2-one

Standard CAS: 1505180-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1505180-72-2
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
CC1(C(CNC1=O)N)C
InChI
InChI=1S/C6H12N2O/c1-6(2)4(7)3-8-5(6)9/h4H,3,7H2,1-2H3,(H,8,9)
InChIKey
SDMORDSHKGMDJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.77
TPSA
55.12

LogP / Solubility

WLOGP
-0.53
MLOGP
-0.48
XLogP3
-0.7
Consensus LogP
-0.57
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.88

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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