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CAS 2679-14-3 3-(METHYLAMINO)PROPIONIC ACID molecular structure lightbox
CAS RN: 2679-14-3

3-(METHYLAMINO)PROPIONIC ACID

  • Product code: SSC-124969
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 10g, 5g, 25g
  • Available purity: 97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2679-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 97% 5 In Stock Hong Kong Inquiry
0.25g 97% 3 In Stock Shenzhen Inquiry
0.1g 97% 2 In Stock Shenzhen Inquiry
10g 97% 2 In Stock Shanghai Inquiry
5g 97% 1 In Stock Shanghai Inquiry
25g 97% 1 In Stock Beijing Inquiry

2679-14-3 / 3-(methylamino)propanoic acid

Standard CAS: 2679-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2679-14-3
Multi CAS
No
Molecular Formula
C4H9NO2
Molecular Weight
103.120000
Exact Mass
103.063329
SMILES
CNCCC(=O)O
InChI
InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey
VDIPNVCWMXZNFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.18
TPSA
49.33

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
XLogP3
-3
Consensus LogP
-1.2
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very 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)
-3.58

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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