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
    4.1738    0.0375   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    0.2022    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7748    0.0312   -0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -0.2642   -1.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055    0.1981    0.3906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7401    0.0553   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782    0.3195    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1020    0.2047    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612    1.1827    0.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8307   -0.9454    0.9970 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0704    0.8633   -1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9752   -1.4215   -0.4235 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
    5.1720    0.1559   -0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626   -0.2189   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2526    0.4565    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8120    0.4484    1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4344   -0.3623    1.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932    1.3616    1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5436    0.3874   -2.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631    1.9311   -1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555    0.6979   -1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0646   -1.6208   -0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4933   -1.9885    0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043   -1.7118   -1.3726 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