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
    3.2546    1.3260    0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147    0.9100   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4058    0.2799   -0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870   -0.1230   -2.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    0.0534    0.2281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725   -0.5679    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6944    0.1645   -0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    1.5032   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7059    1.6459    0.8325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2730    2.5943   -0.6633 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2399   -0.6963    1.5583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215   -1.9781   -0.3940 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
    4.2421    1.7938    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516    1.2141    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    1.0209   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670    0.3561    1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6354   -0.4612   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    0.2882   -1.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    0.2579    2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -1.2505    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191   -1.3483    2.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2597   -2.4590    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350   -2.4944   -0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -2.0295   -1.4906 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