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
    3.3877    0.7242    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9869   -0.4554    0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5634   -0.7954   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -1.9544   -0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5201    0.1345    0.1967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8821   -0.2686    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7308    0.9309    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    2.0908   -0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355    2.2024   -1.6565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    3.1247   -0.0248 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2685   -1.3574    0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1369   -0.8040   -1.3654 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
    4.4441    0.9223    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426    1.5636    0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454   -1.2159   -0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    1.0955    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123    0.6603    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950    1.1347    1.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3841   -1.3439    1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167   -1.1847    1.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0058   -2.3640    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137   -0.4257   -1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -1.9171   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.4975   -2.1048 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