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Home Carbonyls 2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid

2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid

CAS No.:
1187656-20-7
Catalog Number:
AG01C2WA
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
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Product Description
Catalog Number:
AG01C2WA
Chemical Name:
2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid
CAS Number:
1187656-20-7
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
MDL Number:
MFCD01883027
IUPAC Name:
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI:
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
VVQIIIAZJXTLRE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCC(C(=O)O)N
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.158g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.307g/mol
Monoisotopic Mass:
246.158g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Literature
Title Journal
Asymmetrically simultaneous synthesis of L-homophenylalanine and N6-protected-2-oxo-6-amino-hexanoic acid by engineered Escherichia coli aspartate aminotransferase. Biotechnology progress 20090101
Properties