Home Carboxys Racemic-(3aR,6aR)-1-(tert-butoxycarbonyl)-3a,5,6,6a-tetrahydrospiro[cyclopenta[d]isoxazole-4,4-piperidine]-3-carboxylic acid

Racemic-(3aR,6aR)-1-(tert-butoxycarbonyl)-3a,5,6,6a-tetrahydrospiro[cyclopenta[d]isoxazole-4,4-piperidine]-3-carboxylic acid

CAS No.:
1263178-47-7
Catalog Number:
AG00HRH0
Molecular Formula:
C16H24N2O5
Molecular Weight:
324.3722
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$336
- +
250mg
95%
In Stock USA
United States
$630
- +
1g
95%
In Stock USA
United States
$1260
- +
5g
95%
In Stock USA
United States
$3780
- +
Product Description
Catalog Number:
AG00HRH0
Chemical Name:
Racemic-(3aR,6aR)-1-(tert-butoxycarbonyl)-3a,5,6,6a-tetrahydrospiro[cyclopenta[d]isoxazole-4,4-piperidine]-3-carboxylic acid
CAS Number:
1263178-47-7
Molecular Formula:
C16H24N2O5
Molecular Weight:
324.3722
MDL Number:
MFCD18792930
IUPAC Name:
(3aR,6aR)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxylic acid
InChI:
InChI=1S/C16H24N2O5/c1-15(2,3)22-14(21)18-8-6-16(7-9-18)5-4-10-11(16)12(13(19)20)17-23-10/h10-11H,4-9H2,1-3H3,(H,19,20)/t10-,11+/m1/s1
InChI Key:
VNDVOVRRHZDSJC-MNOVXSKESA-N
SMILES:
O=C(N1CCC2(CC1)CC[C@@H]1[C@H]2C(=NO1)C(=O)O)OC(C)(C)C
Properties
Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
324.169g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.377g/mol
Monoisotopic Mass:
324.169g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties