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CAS 204451-53-6 3-AMINOPROPIONIC ACID-15N molecular structure lightbox
CAS RN: 204451-53-6

3-AMINOPROPIONIC ACID-15N

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 50mg / 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS204451-53-6
  • Purity/Analytical Methods: >99.0%
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204451-53-6 / 3-(15N)azanylpropanoic acid

Standard CAS: 204451-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204451-53-6
Multi CAS
No
Molecular Formula
C3H7NO2
Molecular Weight
90.090000
Exact Mass
90.044713
SMILES
C(C[15NH2])C(=O)O
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i4+1
InChIKey
UCMIRNVEIXFBKS-AZXPZELESA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.31
TPSA
63.32

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.52
XLogP3
-3
Consensus LogP
-1.37
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Highly 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)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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