Home Carboxys 5-({[(tert-butoxy)carbonyl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-({[(tert-butoxy)carbonyl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

CAS No.:
1785259-05-3
Catalog Number:
AG01AFLU
Molecular Formula:
C10H16N2O5
Molecular Weight:
244.2444
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Product Description
Catalog Number:
AG01AFLU
Chemical Name:
5-({[(tert-butoxy)carbonyl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CAS Number:
1785259-05-3
Molecular Formula:
C10H16N2O5
Molecular Weight:
244.2444
MDL Number:
MFCD27959357
IUPAC Name:
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H16N2O5/c1-10(2,3)16-9(15)11-5-6-4-7(8(13)14)12-17-6/h6H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChI Key:
KXBMKLJULPKIAT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1ON=C(C1)C(=O)O
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.247g/mol
Monoisotopic Mass:
244.106g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties