methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate

methyl 4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylate

CAS: 115655-44-2

Formula: C12H22N2O4

SMILES: COC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C

IUPAC: methyl 4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylate

InChI: InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)

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	0
Exact Mass	258.157957196
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XWBFIPVPQLAHMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.84
Topological Polar Surface Area	76.66
Polarizability	26.35
Ring Count	1
Rotatable Bond Count	5

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