Home Carboxys 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid

CAS No.:
1521431-12-8
Catalog Number:
AG00IL2C
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
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Product Description
Catalog Number:
AG00IL2C
Chemical Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CAS Number:
1521431-12-8
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChI Key:
FUECAVZSGQIGRI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1COCC1C(=O)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties