(2S,4S)-1-(tert-butoxycarbonyl)-4-(2,5-difluorophenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(2,5-difluorophenoxy)pyrrolidine-2-carboxylic acid

CAS: 869682-02-0

Formula: C16H19F2NO5

SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(O)=O)OC1=C(F)C=CC(F)=C1

IUPAC: (2S,4S)-1-[(tert-butoxy)carbonyl]-4-(2,5-difluorophenoxy)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H19F2NO5/c1-16(2,3)24-15(22)19-8-10(7-12(19)14(20)21)23-13-6-9(17)4-5-11(13)18/h4-6,10,12H,7-8H2,1-3H3,(H,20,21)/t10-,12-/m0/s1

Composition: C (55.97%), H (5.58%), F (11.07%), N (4.08%), O (23.30%)

Molar Mass: 343.327

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	343.123129042
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JNFRPDDWUFDMJO-JQWIXIFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.07
Topological Polar Surface Area	76.07
Polarizability	30.71
Ring Count	2
Rotatable Bond Count	5

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