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(2R)-1-[(benzyloxy)carbonyl]-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

(2R)-1-[(benzyloxy)carbonyl]-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

CAS: 954388-33-1

Formula: C18H24N2O6

SMILES: CC(C)(C)OC(=O)N1CCN([C@H](C1)C(O)=O)C(=O)OCC1=CC=CC=C1

IUPAC: (2R)-1-[(benzyloxy)carbonyl]-4-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid

InChI: InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m1/s1

Composition: C (59.33%), H (6.64%), N (7.69%), O (26.34%)

Molar Mass: 364.398

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 364.163436501
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MKXMXZZARNRMMQ-CQSZACIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.08
Topological Polar Surface Area 96.38
Polarizability 36.11
Ring Count 2
Rotatable Bond Count 6

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