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
   -2.8790   -0.0876   -0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634    0.2409    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6381    0.9507    1.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459   -0.2171   -0.4000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.0380    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1615    0.7418    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   -0.5299   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9532   -1.2151   -1.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121   -0.3316   -0.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948   -0.3121    0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7634   -1.0015   -1.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2219    0.7911   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037   -0.8214   -1.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828    0.8832    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025    1.2054    1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328   -0.3349   -0.6678 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