Home Carboxys (1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS No.:
1242184-46-8
Catalog Number:
AG00AA2U
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00AA2U
Chemical Name:
(1S,2R,3S,4R)-3-(tert-butoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Number:
1242184-46-8
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
MDL Number:
MFCD16987421
IUPAC Name:
(1S,2R,3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9-,10+/m1/s1
InChI Key:
ZPMJBHUNSHDFPT-RGOKHQFPSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O)C2
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties