(2S)-3-(3,4-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(3,4-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 198560-43-9

Formula: C24H19F2NO4

SMILES: OC(=O)[C@H](CC1=CC=C(F)C(F)=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(3,4-difluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1

Composition: C (68.08%), H (4.52%), F (8.97%), N (3.31%), O (15.11%)

Molar Mass: 423.416

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	423.128214422
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IHSYIDJNVXPQRM-QFIPXVFZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.63
Topological Polar Surface Area	75.63
Polarizability	42.92
Ring Count	4
Rotatable Bond Count	7

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