Back to Search
3-Maleimidopropionic Acid
CAS: 7423-55-4 | C7H7NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7423-55-4
Molecular Formula:
C7H7NO4
Molecular Mass:
169.14 g/mol
Names and Synonyms:
3-Maleimidopropionic Acid
1H-Pyrrole-1-propanoic acid, 2,5-dihydro-2,5-dioxo-
3-Pyrroline-1-propionic acid, 2,5-dioxo-
2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-propanoic acid
N-(2-Carboxyethyl)maleimide
3-Maleimidopropionic acid
β-Maleimidopropionic acid
N-Maleoyl-β-alanine
3-(Maleimido)propanoic acid
3-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-propionic acid
BMPA
BMPA (imide)
3-(2,5-Dioxo-2H-pyrrol-1(5H)-yl)propanoic acid
2,5-Dioxopyrrole-1-propanoic acid
Identifiers:
SMILES:
O=C(O)CCN1C(=O)C=CC1=O
InChI:
InChI=1S/C7H7NO4/c9-5-1-2-6(10)8(5)4-3-7(11)12/h1-2H,3-4H2,(H,11,12)
Key Properties
Melting Point
103-106 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.14 g/mol | CAS Common Chemistry |
| 169.136 g/mol | RDKit | |
| 169.037507704 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO4/c9-5-1-2-6(10)8(5)4-3-7(11)12/h1-2H,3-4H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=IUTPJBLLJJNPAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103-106 °C | CAS Common Chemistry |
| Name | 3-Maleimidopropionic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.68 Ų | RDKit |
| LogP | -0.6139000000000001 | RDKit |
| Molar Refractivity | 38.11280000000001 | RDKit |
