Home Carboxys tert-Butyl rac-(4as,7ar)-6-oxooctahydro-2h-cyclopenta[c]pyridine-2-carboxylate

tert-Butyl rac-(4as,7ar)-6-oxooctahydro-2h-cyclopenta[c]pyridine-2-carboxylate

CAS No.:
1820583-37-6
Catalog Number:
AG00J2FS
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$789
- +
5g
95%
In Stock USA
United States
$2671
- +
Product Description
Catalog Number:
AG00J2FS
Chemical Name:
tert-Butyl rac-(4as,7ar)-6-oxooctahydro-2h-cyclopenta[c]pyridine-2-carboxylate
CAS Number:
1820583-37-6
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD20230891
IUPAC Name:
tert-butyl (4aR,7aS)-6-oxo-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-2-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-5-4-9-6-11(15)7-10(9)8-14/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChI Key:
WUSRHFOXQKJMKP-NXEZZACHSA-N
SMILES:
O=C1C[C@H]2[C@@H](C1)CN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties