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
    3.3256    0.9950   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    0.2974    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -0.2167    0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094   -0.8866    1.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5537   -0.0042   -0.3629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -0.4714   -0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965    0.1423    0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090    1.6301    0.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819    2.2239   -0.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905    2.4151    1.7706 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8797   -1.9723   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956   -0.0678   -1.5319 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
    2.7100    1.2571   -1.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3737    1.3345   -0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    0.0796    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8356    0.5461   -1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9354   -0.1371    1.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5515   -0.2075    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -2.2363    0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8218   -2.2988   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600   -2.5147   -0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3614    0.7081   -1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055    0.3414   -2.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1026   -0.9572   -1.9341 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