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
    4.1817    0.3619    0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742    0.6373   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.1074    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6506   -0.6456    1.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    0.4160   -0.5343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -0.0802   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7142    0.4688   -1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0976    0.0407   -0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4673   -1.1077   -1.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0553    0.8214   -0.3444 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1760    0.3631    1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7902   -1.5910   -0.2690 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
    4.2158   -0.2625    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1233    0.7752    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1142    1.2734   -1.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366    1.0495   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    1.5964   -1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004    0.1656   -2.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025   -0.2236    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3957    0.2032    1.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035    1.4357    1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968   -1.8308   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -2.0632    0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -1.9109    0.0300 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