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

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

CAS No.:
1935413-64-1
Catalog Number:
AG01CA7U
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
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Product Description
Catalog Number:
AG01CA7U
Chemical Name:
1-{[(tert-butoxy)carbonyl]amino}-3,3-dimethylcyclobutane-1-carboxylic acid
CAS Number:
1935413-64-1
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD30002902
IUPAC Name:
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-10(2,3)17-9(16)13-12(8(14)15)6-11(4,5)7-12/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChI Key:
BTWUOMUBNBYAJH-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC(C1)(C)C)C(=O)O)OC(C)(C)C
Properties
Complexity:
333  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties