(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid

CAS: 138775-05-0

Formula: C25H23NO4

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

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-phenylpropanoic acid

InChI: InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m1/s1

Composition: C (74.80%), H (5.77%), N (3.49%), O (15.94%)

Molar Mass: 401.462

Atom Count: 53

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	401.162708225
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GBROUWPNYVBLFO-HSZRJFAPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.09
Topological Polar Surface Area	66.84
Polarizability	45.44
Ring Count	4
Rotatable Bond Count	7

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