HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 1-amino-1-cyclopentanecarboxylate (H-Ac5c-OMe)
Cycloleucine Methyl Ester · NSC 26981 · 1-Amino-1-methoxycarbonyl-cyclopentan · methyl 1-aminocyclopen tanecarboxylate · METHYL 1-AMINO-1-CYCLOPENTANECARBOXYLATE · METYHL 1-AMINO-1-CYCLOPENTANECARBOXYLATE · Methyl 1-aMinocyclopentane-1-carboxylate · Methyl 1-amino-1-cyclopentanecarboxylate HCl

Identifiers & Physical Properties
| CAS No. | 78388-61-1 |
|---|---|
| Molecular formula | C7H13NO2 |
| Average molar mass | 143.18 g/mol |
| Monoisotopic mass | 143.09462866 g/mol |
| SMILES | COC(=O)C1(N)CCCC1 |
| InChIKey | VLNNACMZTDZCFH-UHFFFAOYSA-N |
| PubChem CID | 231225 |
| EC No. | 894-353-5 |
| DTXSID | DTXSID50282637 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 139 |
| Melting point | 203-205 °C |
| Boiling point | 186.7±23.0 °C(Predicted) |
| Density | 1.081±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Solubility | Dichloromethane, Ethyl Acetate, Methanol |
| Physical state | Pale Yellow Liquid |
| pKa (acidity coefficient) | 7.71±0.20(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
Applications & Uses
Uses
This molecule can be incorporated into specific Cathepsin B inhibitors to increase their specificity.