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(2S,4S)-1-(tert-butoxycarbonyl)-4-(4-fluoro-2-methylphenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-1-(tert-butoxycarbonyl)-4-(4-fluoro-2-methylphenoxy)pyrrolidine-2-carboxylic acid

CAS: 869682-08-6

Formula: C17H22FNO5

SMILES: CC1=C(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(O)=O)C=CC(F)=C1

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

InChI: InChI=1S/C17H22FNO5/c1-10-7-11(18)5-6-14(10)23-12-8-13(15(20)21)19(9-12)16(22)24-17(2,3)4/h5-7,12-13H,8-9H2,1-4H3,(H,20,21)/t12-,13-/m0/s1

Composition: C (60.17%), H (6.53%), F (5.60%), N (4.13%), O (23.57%)

Molar Mass: 339.363

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 339.148200975
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VIULPKYIUHVNCZ-STQMWFEESA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.89
Topological Polar Surface Area 76.07
Polarizability 32.66
Ring Count 2
Rotatable Bond Count 5

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95% <2 Days 869682-08-6 $219.25$219.25
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