Home Carbonyls 2-{[(tert-butoxy)carbonyl](ethyl)amino}-3-phenylpropanoic acid

2-{[(tert-butoxy)carbonyl](ethyl)amino}-3-phenylpropanoic acid

CAS No.:
94732-07-7
Catalog Number:
AG01DTC7
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
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Product Description
Catalog Number:
AG01DTC7
Chemical Name:
2-{[(tert-butoxy)carbonyl](ethyl)amino}-3-phenylpropanoic acid
CAS Number:
94732-07-7
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
MDL Number:
MFCD31616594
IUPAC Name:
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C16H23NO4/c1-5-17(15(20)21-16(2,3)4)13(14(18)19)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,18,19)
InChI Key:
XPUONYUXLITPJQ-UHFFFAOYSA-N
SMILES:
CCN(C(C(=O)O)Cc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties