Home Carboxys 4-{[(tert-butoxy)carbonyl]amino}-2,2-dimethyloxane-4-carboxylic acid

4-{[(tert-butoxy)carbonyl]amino}-2,2-dimethyloxane-4-carboxylic acid

CAS No.:
1404840-07-8
Catalog Number:
AG01A3GR
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
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Product Description
Catalog Number:
AG01A3GR
Chemical Name:
4-{[(tert-butoxy)carbonyl]amino}-2,2-dimethyloxane-4-carboxylic acid
CAS Number:
1404840-07-8
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
MDL Number:
MFCD19400999
IUPAC Name:
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid
InChI:
InChI=1S/C13H23NO5/c1-11(2,3)19-10(17)14-13(9(15)16)6-7-18-12(4,5)8-13/h6-8H2,1-5H3,(H,14,17)(H,15,16)
InChI Key:
NXRIGQNSXAIAEM-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCOC(C1)(C)C)C(=O)O)OC(C)(C)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties