Home Carboxys 5-{[(tert-butoxy)carbonyl]amino}bicyclo[3.1.1]heptane-1-carboxylic acid

5-{[(tert-butoxy)carbonyl]amino}bicyclo[3.1.1]heptane-1-carboxylic acid

CAS No.:
1035325-28-0
Catalog Number:
AG01EKF6
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
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Product Description
Catalog Number:
AG01EKF6
Chemical Name:
5-{[(tert-butoxy)carbonyl]amino}bicyclo[3.1.1]heptane-1-carboxylic acid
CAS Number:
1035325-28-0
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13-6-4-5-12(7-13,8-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
VJMSCDJQBXPPAR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC12CCCC(C1)(C2)C(=O)O
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties