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
    3.7115   -0.7557   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331    0.3770    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7029    0.6171    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2322    1.7762    0.4376 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213   -0.3686   -0.1189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976   -0.1509   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.3021    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7089    0.5151    1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441    0.3571    0.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220    0.9412    2.3239 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3810   -1.3899   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9933    0.9531   -1.1661 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
    4.7715   -0.8785   -0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204   -1.6239   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721    1.2417    0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1234   -1.3316   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399   -0.4291    1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8019    1.2833    1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2797   -1.0969   -1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5983   -2.1325    0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -1.8658   -1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9075    1.9076   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971    0.8204   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812    0.9313   -1.9014 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