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
    3.7705    0.0140   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0538   -0.1161    1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6095   -0.1240    1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891   -0.2553    2.1838 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029    0.0072   -0.0738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503   -0.0031   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1450    0.1541   -1.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009    0.1669   -1.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2307   -0.8872   -2.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4287    1.2356   -1.3402 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1690   -1.3352    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426    1.0507    0.8472 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
    4.8701    0.0113    0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946    0.1220   -0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6110   -0.2193    2.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2796    0.1209   -0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    1.0234   -1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875   -0.7553   -2.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -1.1890    0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -1.7991    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3562   -2.0316   -0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629    0.9529    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581    2.0682    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735    0.7789    1.9074 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