Home Carboxys 1-(tert-Butoxycarbonyl)-4-methoxy-4-piperidinecarboxylic acid hydrate

1-(tert-Butoxycarbonyl)-4-methoxy-4-piperidinecarboxylic acid hydrate

CAS No.:
2105838-78-4
Catalog Number:
AG00J2OE
Molecular Formula:
C12H23NO6
Molecular Weight:
277.3141
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J2OE
Chemical Name:
1-(tert-Butoxycarbonyl)-4-methoxy-4-piperidinecarboxylic acid hydrate
CAS Number:
2105838-78-4
Molecular Formula:
C12H23NO6
Molecular Weight:
277.3141
MDL Number:
MFCD31381489
IUPAC Name:
4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;hydrate
InChI:
InChI=1S/C12H21NO5.H2O/c1-11(2,3)18-10(16)13-7-5-12(17-4,6-8-13)9(14)15;/h5-8H2,1-4H3,(H,14,15);1H2
InChI Key:
QTWHZRBRZXUOSV-UHFFFAOYSA-N
SMILES:
COC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O.O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.153g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.317g/mol
Monoisotopic Mass:
277.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties