Home Carboxys Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester

Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester

CAS No.:
1251004-07-5
Catalog Number:
AG00HI02
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$265
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
5g
95%
In Stock USA
United States
$2646
- +
Product Description
Catalog Number:
AG00HI02
Chemical Name:
Racemic cis-6-oxo-octahydro-pyrrolo[3,4-c]pyridine-2-carboxylic acid tert-butyl ester
CAS Number:
1251004-07-5
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD12198662
IUPAC Name:
tert-butyl (3aS,7aS)-6-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8-4-10(15)13-5-9(8)7-14/h8-9H,4-7H2,1-3H3,(H,13,15)/t8-,9+/m1/s1
InChI Key:
ZRLSHURDLKOJJN-BDAKNGLRSA-N
SMILES:
O=C1NC[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties