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
    3.5220    1.1175   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663   -0.1303   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847   -0.5634   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788   -1.7862   -0.3841 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916    0.3404   -0.2747 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6649   -0.1301   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548    1.0781    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716    0.7452    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4489   -0.4136    0.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8734    1.7943    0.2957 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9862   -0.9185   -1.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8228   -1.0540    1.0541 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
    4.5587    1.3877   -0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115    1.9229   -0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9251   -0.9143   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772    1.3568   -0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    1.6547    0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    1.7138   -0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7096   -1.9686   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722   -0.9182   -1.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3729   -0.5622   -2.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694   -1.0691    1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -2.0417    0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445   -0.6412    1.6877 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