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
   -2.6562    0.8088   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4711   -0.0782    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7143   -1.1000    0.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1847    0.2587   -0.1445 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -0.5070    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -1.6230    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    0.0218   -0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3091   -0.6014   -0.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2323    1.1972   -1.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550    1.6368   -0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4413    0.2367   -0.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027    1.1856    0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287    1.1708   -0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -2.1371    1.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584   -2.1110    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    1.6414   -1.3710 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