Basic information
- CAS
24269-71-4- Standard SMILES
CCCCCN(CCN1CCN(C(=O)OC(C)C)CC1)C(=O)OC(C)C.Cl- InChIKey
HWXDGNYUZWNBJU-UHFFFAOYSA-N- Molecular formula
- C19H38ClN3O4
- Average molar mass
- 408 g/mol
- Monoisotopic mass
- 407.2550844
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(carboxypentylamino)ethyl)-, diisopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-[pentyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
24269-71-41-Piperazinecarboxylic acid, 4-(2-(carboxypentylamino)ethyl)-, diisopropyl ester, hydrochloride4-(2-(Carboxypentylamino)ethyl)-1-piperazinecarboxylic acid diisopropyl ester hydrochlorideDTXSID20178992RefChem:233583DTXCID80101483Propan-2-yl 4-[2-(pentyl{[(propan-2-yl)oxy]carbonyl}amino)ethyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24269-71-4- PubChem CID
- 212434
- DTXSID
DTXSID20178992
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…