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(2S)-4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acid

(2S)-4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acid

CAS: 138812-69-8

Formula: C13H16N2O4

SMILES: OC(=O)[C@@H]1CN(CCN1)C(=O)OCC1=CC=CC=C1

IUPAC: (2S)-4-[(benzyloxy)carbonyl]piperazine-2-carboxylic acid

InChI: InChI=1S/C13H16N2O4/c16-12(17)11-8-15(7-6-14-11)13(18)19-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)/t11-/m0/s1

Composition: C (59.08%), H (6.10%), N (10.60%), O (24.22%)

Molar Mass: 264.281

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 264.111007003
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ARLOIFJEXPDJGV-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.08
Topological Polar Surface Area 78.87
Polarizability 26.48
Ring Count 2
Rotatable Bond Count 4

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