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
    4.1286    0.4798    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919   -0.2841    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429    0.2486    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5419    1.4471    0.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6126   -0.5721   -0.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7569   -0.0651    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.2119   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0912   -0.8954   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7394   -0.8947    0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701   -0.5861   -1.4628 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0468    0.4375    1.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087    1.0606   -0.8931 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
    5.1477    0.1064    0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9454    1.4999    0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362   -1.3115   -0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8371   -1.5584   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301   -1.5319   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226   -2.0995    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -0.2861    2.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1316    0.5851    1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735    1.4252    1.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806    0.9486   -1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2293    1.0008   -1.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337    2.0573   -0.4359 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