(2S,4R)-1-(tert-butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2S,4R)-1-(tert-butoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

CAS: 470482-44-1

Formula: C11H16F3NO4

SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(O)=O)C(F)(F)F

IUPAC: (2S,4R)-1-[(tert-butoxy)carbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-6(11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m1/s1

Composition: C (46.65%), H (5.69%), F (20.12%), N (4.95%), O (22.59%)

Molar Mass: 283.247

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	283.103142488
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OHIYKPXMNWXZQH-RQJHMYQMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.31
Topological Polar Surface Area	66.84
Polarizability	22.37
Ring Count	1
Rotatable Bond Count	4

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