(2S)-1-(tert-butoxycarbonyl)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

(2S)-1-(tert-butoxycarbonyl)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

CAS: 1217635-13-6

Formula: C17H22FNO4

SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC1=CC=CC=C1F)C(O)=O

IUPAC: (2S)-1-[(tert-butoxy)carbonyl]-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C17H22FNO4/c1-16(2,3)23-15(22)19-10-6-9-17(19,14(20)21)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m0/s1

Composition: C (63.14%), H (6.86%), F (5.88%), N (4.33%), O (19.79%)

Molar Mass: 323.364

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	323.153286355
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JHRPTZRVQXTAPK-KRWDZBQOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.61
Topological Polar Surface Area	66.84
Polarizability	32.01
Ring Count	2
Rotatable Bond Count	5

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