Home Carboxys 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylcyclobutane-1-carboxylic acid, Mixture of diastereomers

3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylcyclobutane-1-carboxylic acid, Mixture of diastereomers

CAS No.:
1779745-51-5
Catalog Number:
AG01BTRO
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
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Product Description
Catalog Number:
AG01BTRO
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylcyclobutane-1-carboxylic acid, Mixture of diastereomers
CAS Number:
1779745-51-5
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD24543404
IUPAC Name:
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-7(9(14)15)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,16)(H,14,15)
InChI Key:
AOJXKOSBUVHAIA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC(C1(C)C)C(=O)O
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties