Showing Metabocard for 1-aminocyclopropane-1-carboxylate (BASm0003398)
| Common Name | 1-aminocyclopropane-1-carboxylate |
|---|---|
| Description | 1-Aminocyclopropanecarboxylic acid is found in fruits. 1-Aminocyclopropanecarboxylic acid is isolated from apple and pear juice and cranberries. |
| Structure | |
| Molecular Formula | C4H7NO2 |
| Average Mass | 101.10390 |
| Monoisotopic Mass | 101.04768 |
| IUPAC Name | 1-aminocyclopropane-1-carboxylic acid |
| Traditional Name | 1-aminocyclopropane-1-carboxylic acid |
| CAS Registry Number | 22059-21-8 |
| SMILES | [NH3+]C1(C(=O)[O-])CC1 |
| InChI Identifier | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) |
| InChI Key | PAJPWUMXBYXFCZ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:58360 |
| HMDB ID | HMDB0036458 |
| State | Solid |
| Water Solubility | 4.37e+02 g/l |
| logP | -3.05 |
| logS | 0.64 |
| pKa (Strongest Acidic) | 2.20 |
| pKa (Strongest Basic) | 9.35 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 63.32 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 23.25 m³·mol⁻¹ |
| Polarizability | 9.61 |