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
    3.9577   -0.7821   -0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309    0.0357   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -0.2905   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590   -1.3989   -0.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6427    0.6226    0.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7864    0.3795    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600   -0.8140    1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4814   -1.1716    1.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841   -0.5386    0.5927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8389   -2.2640    1.9615 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2869    0.2220   -1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010    1.5672    0.8463 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
    4.9899   -0.5061   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840   -1.7427   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300    1.0081    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131    1.5513    0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4776   -1.7091    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544   -0.5141    2.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    0.9890   -1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -0.7554   -1.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434    0.4809   -1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450    1.6453    0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9633    2.4767    0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3469    1.5090    1.9550 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