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
    3.6999   -0.0060    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416    0.2703   -0.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4871    0.2158   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769    0.5122   -2.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -0.1618    0.2405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601   -0.1989    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005    1.1566   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6703    1.2041   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2303    2.2940   -0.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505    0.0839    0.0127 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0515   -1.2364   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.6334    1.5531 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
    3.2748   -0.2987    1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7716    0.0546    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295    0.5730   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -0.4142    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956    1.6764   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9288    1.7904    0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283   -0.9682   -1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2579   -2.1778   -0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973   -1.5010   -1.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254    0.2318    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0733   -1.2839    1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3923   -1.1829    2.0962 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