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
    3.7043   -0.1001   -0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345    0.7135    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    0.7244    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    1.5122    1.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8027   -0.1159   -0.2468 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416   -0.1125   -0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -0.4512    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7235   -0.4175    0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4211    0.6235    0.9749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -1.6110    0.8324 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1367   -1.1536   -1.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955    1.2370   -0.6879 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
    4.8094   -0.1008   -0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2387   -0.8048   -0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5632    1.3942    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2773   -0.7790   -0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674    0.3206    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9776   -1.4775    1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9390   -2.1678   -0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -1.0290   -1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860   -1.0840   -2.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    1.9018   -0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6403    1.8239    0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.1534   -1.6434 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