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
    4.0483    0.3917   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    0.3707   -0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.0925   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262   -0.1177    1.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566    0.0468   -0.8750 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8227   -0.2136   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1134    0.9043    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    0.7511    1.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1356   -0.2207    1.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939    1.6936    2.3064 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8958   -0.3005   -1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186   -1.4911    0.5416 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
    5.0408    0.5855   -0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116    0.2085    0.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331    0.5526   -1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4770    0.2164   -1.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2839    1.0306    1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832    1.8805    0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2760    0.7224   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3825   -0.6420   -2.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6445   -1.0205   -1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -2.1696    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427   -1.2974    1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -1.9739    0.3724 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