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
    3.6417    1.4302   -0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    0.4468    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4386    0.5009   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564    1.4473   -0.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -0.5401    0.2979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252   -0.6242    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.3852    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5079    1.7858    0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485    2.2466   -0.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8765    2.6862    1.2996 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1653   -0.7533   -1.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972   -1.9837    0.6527 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
    3.2937    2.2700   -0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7013    1.3949    0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2423   -0.3975    0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367   -1.3473    0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7567    0.0949    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5901    0.1944    1.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2032    0.2289   -1.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721   -1.2151   -1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466   -1.4654   -1.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -2.7788    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871   -2.1713    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4391   -1.8353    1.7277 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