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
   -2.8456   -0.3071   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291    0.4072   -0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4980    1.6308   -0.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824   -0.3707   -0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054    0.1699    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    1.4254   -0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0218   -0.7833    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998   -2.0071    0.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341   -0.3539    0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018   -1.1034    0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9809   -0.6667   -1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    0.4087   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -1.4344    0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    1.7599   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494    2.2486   -0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1093   -1.0239    0.2482 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