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
    4.0421   -0.0272    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.0876    0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209   -0.0990    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127   -0.0493   -1.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3612   -0.1659    0.6822 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9430   -0.1692    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5491    1.0396   -0.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    1.7575   -1.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1935    1.5667   -2.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8046    2.9874   -1.7760 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.9178   -0.6575    1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014   -1.3148   -0.8828 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
    4.9635   -0.0161    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0731    0.0134   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916   -0.1285    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -0.2225    1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6763    0.7844   -0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    1.8102    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668   -0.0978    2.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344   -0.5626    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494   -1.7559    1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710   -2.2319   -0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152   -1.0243   -1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948   -1.3491   -1.0531 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