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
    3.7762    0.8313   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634    0.6237    0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012    0.1719   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025   -0.0119   -1.5278 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.0510    0.6017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8547   -0.4951    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.4473   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404    1.7907   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2809    2.6477   -1.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    2.1600    1.0120 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8102   -0.6696    1.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920   -1.8664   -0.4948 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
    4.7487    1.1752   -0.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.6627   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661    0.7881    1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5736    0.1219    1.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8577    0.5246   -1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047    0.0704   -1.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8403   -0.5820    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -1.6972    1.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    0.0962    2.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -2.4493   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6192   -2.4879   -0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421   -1.8015   -1.5698 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