Home Carboxys 5-({[(tert-butoxy)carbonyl]amino}methyl)-3-methylfuran-2-carboxylic acid

5-({[(tert-butoxy)carbonyl]amino}methyl)-3-methylfuran-2-carboxylic acid

CAS No.:
2060040-87-9
Catalog Number:
AG01C09C
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
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Product Description
Catalog Number:
AG01C09C
Chemical Name:
5-({[(tert-butoxy)carbonyl]amino}methyl)-3-methylfuran-2-carboxylic acid
CAS Number:
2060040-87-9
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
MDL Number:
MFCD30497885
IUPAC Name:
3-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H17NO5/c1-7-5-8(17-9(7)10(14)15)6-13-11(16)18-12(2,3)4/h5H,6H2,1-4H3,(H,13,16)(H,14,15)
InChI Key:
GDEVNDINZWFXFM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cc(c(o1)C(=O)O)C
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.27g/mol
Monoisotopic Mass:
255.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties