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
    3.8498    0.6777   -0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184    0.3950   -0.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174    0.1058   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761    0.1301    1.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -0.2049   -0.7152 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   -0.4901    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2827    0.6833    0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167    1.8557    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    1.8421   -1.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772    3.0469    0.6484 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0629   -0.7548   -0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6929   -1.7391    0.8540 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
    4.7619    0.8977   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356    0.7073    0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938    0.3806   -1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680   -0.2141   -1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    0.4734    1.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486    0.9482    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516   -1.7182   -0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -0.7746   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8446    0.0433   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -1.9500    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307   -2.5849    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339   -1.7563    1.4250 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