Monomers

2-Acetamidoacrylic acid

Identifiers

IUPAC name
2-acetamidoprop-2-enoic acid
InchI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InchI Key
UFDFFEMHDKXMBG-UHFFFAOYSA-N
SMILES
CC(=O)NC(=C)C(=O)O
Canonical SMILES
CC(=O)NC(=C)C(=O)O
Isomeric SMILES
CC(=O)NC(=C)C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7NO3
Heavy Atom Count
9
Molecular Weight
129.115
Exact Molecular Weight
129.0426
Valence Electrons
50
Radical Electrons
0
tPSA
66.4
MolLogP
-0.2792
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.8971    0.4080    2.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498    0.7074    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    1.7228    0.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1273   -0.1380    0.4263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596   -0.0005   -0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292    0.9809   -1.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -0.9974   -1.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799   -0.8841   -2.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585   -2.0574   -0.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755    0.5152    1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6825   -0.6212    2.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997    1.1094    2.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607   -0.9958    1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742    1.7590   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    1.0343   -2.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497   -2.5424   -0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers