Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-5-cyanopentanoic acid

2-{[(tert-butoxy)carbonyl]amino}-5-cyanopentanoic acid

CAS No.:
1822534-79-1
Catalog Number:
AG01C2AX
Molecular Formula:
C11H18N2O4
Molecular Weight:
242.2716
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Product Description
Catalog Number:
AG01C2AX
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-5-cyanopentanoic acid
CAS Number:
1822534-79-1
Molecular Formula:
C11H18N2O4
Molecular Weight:
242.2716
MDL Number:
MFCD24541433
IUPAC Name:
5-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C11H18N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
DAKRJQCYDKDOLN-UHFFFAOYSA-N
SMILES:
N#CCCCC(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.127g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.275g/mol
Monoisotopic Mass:
242.127g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties