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(3R,4S)-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

(3R,4S)-1-(tert-butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid

CAS: 1821810-67-6

Formula: C12H21NO4

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

IUPAC: (3R,4S)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid

InChI: InChI=1S/C12H21NO4/c1-8-7-13(6-5-9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1

Composition: C (59.24%), H (8.70%), N (5.76%), O (26.30%)

Molar Mass: 243.303

Atom Count: 38

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 243.14705816
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZFQQTPBWJCJGSV-IUCAKERBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.54
Topological Polar Surface Area 66.84
Polarizability 24.58
Ring Count 1
Rotatable Bond Count 3

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