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
   -2.8933    0.3875    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880   -0.2953   -0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5851   -1.3987   -0.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491    0.3003    0.1268 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -0.1932   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2535   -1.3060   -0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0864    0.6313    0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464    1.7064    0.8859 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058    0.2455    0.1215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7567    1.4598   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013    0.2284    1.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7126   -0.0440   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    1.2390    0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133   -1.9780   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -1.6009   -0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1006    0.6176    0.7839 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