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
    3.8538   -0.1922   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    0.0966    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527   -0.2462   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903   -0.8520   -1.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624    0.0874    0.6458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785   -0.2504    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084    0.4408   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814    1.9185   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556    2.4790   -0.7499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3396    2.6555   -0.5421 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0008    0.1951    1.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -1.7601    0.1325 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
    3.7749   -0.7049   -1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8551    0.0715   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    0.6023    1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572    0.5748    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696    0.2158   -1.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3562    0.2085   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9656    0.4262    0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2211   -0.6052    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6421    1.1301    1.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1237   -2.0893   -0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970   -2.1530    0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290   -2.2490    0.5364 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