Home Carbonyls 2-[benzyl(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]acetic acid

2-[benzyl(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]acetic acid

CAS No.:
1461708-17-7
Catalog Number:
AG01ABL2
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
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Product Description
Catalog Number:
AG01ABL2
Chemical Name:
2-[benzyl(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]acetic acid
CAS Number:
1461708-17-7
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
MDL Number:
MFCD26407642
IUPAC Name:
2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
InChI:
InChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-9-10-18(12-14(19)20)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,21)(H,19,20)
InChI Key:
PIRVLSFAHIZBQS-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1ccccc1)CCNC(=O)OC(C)(C)C
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties