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
    2.8739    0.2354    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5428   -0.4509    0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945   -1.6884    0.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    0.3068    0.0142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361   -0.1566   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597   -1.4103   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0169    0.8721   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704    2.0966   -0.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3457    0.4950   -0.3617 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    0.2765    1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854    1.2590   -0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721   -0.3571   -0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133    1.3748    0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3209   -1.7009   -0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5906   -2.2217   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1208    1.0697   -0.0533 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