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
    3.3170    0.4276    1.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -0.7573    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.9614    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -2.1172    0.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501    0.0699   -0.0135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7749   -0.1569   -0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617    1.1403   -0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4350    2.1558    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9182    3.2777   -0.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117    1.9478    1.4208 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7955   -1.0976   -1.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -0.8309    0.5594 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
    4.3316    0.5454    1.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352    1.3113    0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2779   -1.6222    1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9532    1.0301   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3999    0.9476   -1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7152    1.5469   -1.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353   -0.8771   -2.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032   -2.1526   -1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -0.8617   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2283   -1.6846    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919   -0.0854    0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.1956    1.4227 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