Home Carboxys rac-(1R,6S,8R)-3-(tert-butoxycarbonyl)-3-azabicyclo[4.2.0]octane-8-carboxylic acid

rac-(1R,6S,8R)-3-(tert-butoxycarbonyl)-3-azabicyclo[4.2.0]octane-8-carboxylic acid

CAS No.:
1820574-59-1
Catalog Number:
AG00J2G2
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00J2G2
Chemical Name:
rac-(1R,6S,8R)-3-(tert-butoxycarbonyl)-3-azabicyclo[4.2.0]octane-8-carboxylic acid
CAS Number:
1820574-59-1
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD17016455
IUPAC Name:
(1R,6S,8R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.2.0]octane-8-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-5-4-8-6-9(11(15)16)10(8)7-14/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10-/m1/s1
InChI Key:
AQNSCAHLQIDSJY-OPRDCNLKSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2[C@H]1CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties