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

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

CAS No.:
854113-43-2
Catalog Number:
AG01DSSJ
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
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Product Description
Catalog Number:
AG01DSSJ
Chemical Name:
(1S,2S,5R)-3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CAS Number:
854113-43-2
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
MDL Number:
MFCD28389220
IUPAC Name:
(1S,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-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?/m1/s1
InChI Key:
BTOGCFAOJIQONJ-UIOJKSJQSA-N
SMILES:
OC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
571  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties