Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid

2-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid

CAS No.:
1404736-14-6
Catalog Number:
AG01C4ZF
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
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Product Description
Catalog Number:
AG01C4ZF
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
CAS Number:
1404736-14-6
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD19401088
IUPAC Name:
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI:
InChI=1S/C12H23NO4/c1-6-8(2)7-9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChI Key:
MWOMAVYZRMNVDD-UHFFFAOYSA-N
SMILES:
CCC(CC(C(=O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties