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
    3.5910    1.5425   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    0.4724   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    0.5307   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506    1.5692    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5387   -0.5604   -0.2758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -0.6419    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8006    0.2622   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6402    1.6949   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2945    2.3682   -1.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393    2.4596    0.8256 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9006   -0.6607    1.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145   -2.0578   -0.1884 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
    3.1955    2.4333   -0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6011    1.5799   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -0.3862   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678   -1.4177   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8324   -0.0805   -0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7988   -0.0022   -1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -1.0010    1.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7373    0.3284    2.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -1.3786    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2849   -2.1478    0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932   -2.1033   -1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -2.8032    0.1815 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