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3-[4-(tert-butoxycarbonyl)piperazin-2-yl]propanoic acid

3-[4-(tert-butoxycarbonyl)piperazin-2-yl]propanoic acid

CAS: 1779363-90-4

Formula: C12H22N2O4

SMILES: CC(C)(C)OC(=O)N1CCNC(CCC(O)=O)C1

IUPAC: 3-{4-[(tert-butoxy)carbonyl]piperazin-2-yl}propanoic acid

InChI: InChI=1/C12H22N2O4/c1-12(2,3)18-11(17)14-7-6-13-9(8-14)4-5-10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)

Composition: C (55.80%), H (8.58%), N (10.84%), O (24.77%)

Molar Mass: 258.318

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 258.157957196
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PBLSCSQJRNLMLQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.65
Topological Polar Surface Area 78.87
Polarizability 26.11
Ring Count 1
Rotatable Bond Count 5

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