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
    3.6689    0.1097   -0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723    1.1324   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608    1.0055    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496    2.0310    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -0.1986   -0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6059   -0.2835    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299    0.6455   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8765    0.5271   -0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5754   -0.4085   -0.8265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5565    1.4489    0.4600 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9561   -0.1180    1.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -1.7104   -0.1768 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
    3.3065   -0.8847   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7456    0.2260   -0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638    2.0746    0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696   -1.0268   -0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0490    1.6597   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907    0.3886   -1.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3843   -0.9161    2.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.8523    2.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.3687    1.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725   -1.7400   -1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226   -2.0332    0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821   -2.4128   -0.0546 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