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
    3.7575   -0.9811   -0.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8122   -0.0939   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -0.4449   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626   -1.6531    0.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848    0.5486    0.0274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430    0.2740    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6269   -0.6339   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910   -0.0904   -1.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271   -0.7590   -2.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912    1.1290   -2.2096 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5471    1.5962    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -0.4018    1.8578 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
    4.7396   -0.7127   -1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5284   -2.0201   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431    0.9451   -0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8038    1.5422   -0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363   -0.7629    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096   -1.5914   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    2.1307    1.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516    1.3947    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310    2.2530   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -1.3427    1.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267   -0.6097    2.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    0.2842    2.6322 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