Home Carboxys 3-({[(tert-butoxy)carbonyl]amino}methyl)oxane-3-carboxylic acid

3-({[(tert-butoxy)carbonyl]amino}methyl)oxane-3-carboxylic acid

CAS No.:
2059944-43-1
Catalog Number:
AG01BXI5
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
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Product Description
Catalog Number:
AG01BXI5
Chemical Name:
3-({[(tert-butoxy)carbonyl]amino}methyl)oxane-3-carboxylic acid
CAS Number:
2059944-43-1
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD30535647
IUPAC Name:
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxane-3-carboxylic acid
InChI:
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-7-12(9(14)15)5-4-6-17-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
RYVCMFUUIKAHPI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCCOC1)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties