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
    3.2056    0.8068    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252    0.5659   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    0.1204   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -0.0822   -1.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.0869    0.4028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465   -0.5129   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.5868   -0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    1.7948   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    2.1830    0.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363    2.4721    0.3133 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7433   -0.7815    1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831   -1.7926   -0.8258 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
    2.5517    0.6915    1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299    1.1335    1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5456    0.7014   -1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833    0.0629    1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582    0.8610   -1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571    0.2768   -1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5784   -1.4329    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    0.1628    1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -1.3393    1.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3423   -2.1961   -0.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643   -1.5904   -1.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -2.6049   -0.4281 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