1-Piperazinecarboxylic acid, 4-(2-(carboxyisopropylamino)ethyl)-, diisopropyl ester, hydrochloride

HCID 212424

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Basic information

CAS: 24269-66-7
Standard SMILES: CC(C)OC(=O)N1CCN(CCN(C(=O)OC(C)C)C(C)C)CC1.Cl
InChIKey: QSGKLEOHOXHUBO-UHFFFAOYSA-N
Molecular formula: C17H34ClN3O4
Average molar mass: 379.9 g/mol
Monoisotopic mass: 379.2237843

Names & identifiers

Preferred name: 1-Piperazinecarboxylic acid, 4-(2-(carboxyisopropylamino)ethyl)-, diisopropyl ester, hydrochloride
IUPAC: propan-2-yl 4-[2-[propan-2-yl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate;hydrochloride

Names & synonyms

1-Piperazinecarboxylic acid, 4-(2-(carboxyisopropylamino)ethyl)-, diisopropyl ester, hydrochloride24269-66-7RefChem:233582DTXSID20947100Propan-2-yl 4-{2-[(propan-2-yl){[(propan-2-yl)oxy]carbonyl}amino]ethyl}piperazine-1-carboxylate--hydrogen chloride (1/1)

Database identifiers

CAS: 24269-66-7
PubChem CID: 212424
DTXSID: DTXSID20947100

Properties

Computed structural properties

Topological polar surface area: 62.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 405

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