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tert-butyl (3R)-3-(iodomethyl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(iodomethyl)pyrrolidine-1-carboxylate

CAS: 1187932-69-9

Formula: C10H18INO2

SMILES: CC(C)(C)OC(=O)N1CC[C@@H](CI)C1

IUPAC: tert-butyl (3R)-3-(iodomethyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1

Composition: C (38.60%), H (5.83%), I (40.78%), N (4.50%), O (10.28%)

Molar Mass: 311.163

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 311.03822
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DNUFVBGZKFHSDQ-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.81
Topological Polar Surface Area 29.54
Polarizability 25.4
Ring Count 1
Rotatable Bond Count 3

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