Basic information
- CAS
24311-78-2- Standard SMILES
CC(C)CN(CCN1CCN(C(=O)OC(C)C)CC1)C(=O)OC(C)C.Cl- InChIKey
HOBIBMWXCHPBTF-UHFFFAOYSA-N- Molecular formula
- C18H36ClN3O4
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.2394343
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(carboxyisobutylamino)ethyl)-, diisopropyl ester, hydrochloride
- IUPAC
- propan-2-yl 4-[2-[2-methylpropyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride
Names & synonyms
1-Piperazinecarboxylic acid, 4-(2-(carboxyisobutylamino)ethyl)-, diisopropyl ester, hydrochloride24311-78-2DTXSID50179053RefChem:233579DTXCID80101544Propan-2-yl 4-{2-[(2-methylpropyl){[(propan-2-yl)oxy]carbonyl}amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
24311-78-2- PubChem CID
- 212489
- DTXSID
DTXSID50179053
Properties
Computed structural properties
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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