Monomers

Sodium 3-acrylamido-3-methylbutanoate

Identifiers

IUPAC name
sodium;3-methyl-3-(prop-2-enoylamino)butanoate
InchI
InChI=1S/C8H13NO3.Na/c1-4-6(10)9-8(2,3)5-7(11)12;/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12);/q;+1/p-1
InchI Key
UYQMMKJPYKVVIC-UHFFFAOYSA-M
SMILES
C=CC(=O)NC(CC(=O)[O-])(C)C.[Na+]
Canonical SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Isomeric SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H12NNaO3
Heavy Atom Count
13
Molecular Weight
193.178
Exact Molecular Weight
193.0715
Valence Electrons
68
Radical Electrons
0
tPSA
69.23
MolLogP
-3.7888
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 25 23  0  0  0  0  0  0  0  0999 V2000
    3.9751   -0.0007   -0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    0.3554    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -0.1614   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905   -0.9405   -1.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919    0.1968    0.3728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118   -0.2577    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    0.3464    0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8957    1.8243    0.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944    2.4792    0.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1912    2.5215    1.8875 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3222    0.0261   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694   -1.7641    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    4.9442    0.3782   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   -0.6601   -1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    1.0187    0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    0.8453    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9470   -0.0035    0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396    0.0265    2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4189   -0.1646   -1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -0.6992   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    1.0722   -1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7241   -2.0166    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2620   -2.2550   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9899   -2.1674    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  6 11  1  0
  6 12  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
 12 23  1  0
 12 24  1  0
 12 25  1  0
M  CHG  2  10  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers