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tert-butyl 3-amino-4-phenylpyrrolidine-1-carboxylate

tert-butyl 3-amino-4-phenylpyrrolidine-1-carboxylate

CAS: 1187173-17-6

Formula: C15H22N2O2

SMILES: CC(C)(C)OC(=O)N1CC(N)C(C1)C1=CC=CC=C1

IUPAC: tert-butyl 3-amino-4-phenylpyrrolidine-1-carboxylate

InChI: InChI=1/C15H22N2O2/c1-15(2,3)19-14(18)17-9-12(13(16)10-17)11-7-5-4-6-8-11/h4-8,12-13H,9-10,16H2,1-3H3

Composition: C (68.67%), H (8.45%), N (10.68%), O (12.20%)

Molar Mass: 262.353

Atom Count: 41

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 262.168127956
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UEGLRNLEEDBVTH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.72
Topological Polar Surface Area 55.56
Polarizability 29.6
Ring Count 2
Rotatable Bond Count 3

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