Home Carboxys (3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

(3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

CAS No.:
1445950-96-8
Catalog Number:
AG00HX3Z
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$357
- +
250mg
95%
In Stock USA
United States
$693
- +
1g
95%
In Stock USA
United States
$1386
- +
Product Description
Catalog Number:
AG00HX3Z
Chemical Name:
(3aS,6aS)-tert-butyl 3a-(hydroxymethyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
CAS Number:
1445950-96-8
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
MDL Number:
MFCD25509364
IUPAC Name:
tert-butyl (3aS,6aR)-3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
InChI:
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)14-5-9-4-13-6-12(9,7-14)8-15/h9,13,15H,4-8H2,1-3H3/t9-,12-/m1/s1
InChI Key:
BIZOYMDQUKYUEW-BXKDBHETSA-N
SMILES:
OC[C@@]12CNC[C@H]2CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties