(1S,2S,5R)-3-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1S,2S,5R)-3-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 854113-43-2

Formula: C21H19NO4

SMILES: OC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (1S,2S,5R)-3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1S/C21H19NO4/c23-20(24)19-17-9-12(17)10-22(19)21(25)26-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,17-19H,9-11H2,(H,23,24)/t12-,17-,19-/m0/s1

Composition: C (72.19%), H (5.48%), N (4.01%), O (18.32%)

Molar Mass: 349.386

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	349.131408096
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BTOGCFAOJIQONJ-KHDYIWLOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.81
Topological Polar Surface Area	66.84
Polarizability	38.06
Ring Count	5
Rotatable Bond Count	4

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