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

ethyl 3-{[(tert-butoxy)carbonyl]amino}-2-(3-methoxyphenyl)propanoate

CAS No.:
1822792-03-9
Catalog Number:
AG01B1YH
Molecular Formula:
C17H25NO5
Molecular Weight:
323.3841
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Product Description
Catalog Number:
AG01B1YH
Chemical Name:
ethyl 3-{[(tert-butoxy)carbonyl]amino}-2-(3-methoxyphenyl)propanoate
CAS Number:
1822792-03-9
Molecular Formula:
C17H25NO5
Molecular Weight:
323.3841
MDL Number:
MFCD11977193
IUPAC Name:
ethyl 2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C17H25NO5/c1-6-22-15(19)14(11-18-16(20)23-17(2,3)4)12-8-7-9-13(10-12)21-5/h7-10,14H,6,11H2,1-5H3,(H,18,20)
InChI Key:
XOZJCMCSTKNHJJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)OC)CNC(=O)OC(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.173g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.389g/mol
Monoisotopic Mass:
323.173g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties