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

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

CAS: 1270290-56-6

Formula: C24H20FNO5

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

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

InChI: InChI=1S/C24H20FNO5/c25-20-11-14(9-10-22(20)27)12-21(23(28)29)26-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21,27H,12-13H2,(H,26,30)(H,28,29)/t21-/m0/s1

Composition: C (68.40%), H (4.78%), F (4.51%), N (3.32%), O (18.98%)

Molar Mass: 421.424

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	421.132550911
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	VNQUEERXNCSBHF-NRFANRHFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.39
Topological Polar Surface Area	95.86
Polarizability	43.86
Ring Count	4
Rotatable Bond Count	7

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