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
    3.7215    1.2089   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7868    0.6124    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672    0.3672   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677    0.7031   -1.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -0.2739    0.4598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8589   -0.5779    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5956    0.6728   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201    1.6336    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279    2.7121    0.5486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200    1.4580    2.0555 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5447   -1.4159    1.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8422   -1.4312   -1.2456 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
    3.5363    1.5286   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7011    1.4053   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205    0.3137    1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7549   -0.5441    1.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6219    0.4354   -0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791    1.1595   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837   -2.2203    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1601   -0.8549    1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508   -1.9595    1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0740   -2.2023   -1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8357   -1.9519   -1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176   -0.7786   -2.1285 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