Home Carboxys (S)-1-(Boc)azepane-2-carboxylic acid

(S)-1-(Boc)azepane-2-carboxylic acid

CAS No.:
155905-76-3
Catalog Number:
AG001OCC
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$225
- +
250mg
97%
1 week
United States
$360
- +
1g
97%
1 week
United States
$981
- +
Product Description
Catalog Number:
AG001OCC
Chemical Name:
(S)-1-(Boc)azepane-2-carboxylic acid
CAS Number:
155905-76-3
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
MDL Number:
MFCD04973145
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChI Key:
BKMVFOKQLCHCPK-VIFPVBQESA-N
SMILES:
O=C(N1CCCCC[C@H]1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties