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
   -4.0725   -0.7205   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365   -0.0862   -0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -0.2993   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5613   -1.0961    0.9263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603    0.3724   -0.5383 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    0.1530    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7284    1.0217   -0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080    0.9369   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5126    1.6069    0.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9955    0.1037   -0.9054 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.7631    0.4319    1.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411   -1.3153   -0.1214 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
   -5.0759   -0.5769   -0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690   -1.3941    0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1391    0.5904   -1.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    1.0225   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948    0.7539   -1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278    2.0757   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0216    1.2408    1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697   -0.4714    2.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    0.6236    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039   -1.7071   -1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363   -1.3821    0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -1.8843    0.6591 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