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
    3.9724   -0.1790    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    0.4872    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5671   -0.2142    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963   -1.4552    0.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3383    0.5018    0.3846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9189   -0.1666    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518    0.8390    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9378    1.7063   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897    2.6178   -1.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834    1.5149   -1.7585 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1292   -1.1249    1.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -0.9399   -0.9708 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
    3.9808   -1.2578    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    0.3295    0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    1.5628    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3611    1.5416    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0183    0.2889    0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158    1.4741    1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113   -2.0738    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -0.6597    2.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -1.3695    1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9048   -0.7084   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158   -2.0266   -0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -0.6882   -1.6311 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