Home Carbonyls ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxopentanoate

ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxopentanoate

CAS No.:
66643-80-9
Catalog Number:
AG01EJVF
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
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Product Description
Catalog Number:
AG01EJVF
Chemical Name:
ethyl 4-{[(tert-butoxy)carbonyl]amino}-3-oxopentanoate
CAS Number:
66643-80-9
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD24467700
IUPAC Name:
1-O-tert-butyl 5-O-ethyl 2-methyl-3-oxopentanedioate
InChI:
InChI=1S/C12H20O5/c1-6-16-10(14)7-9(13)8(2)11(15)17-12(3,4)5/h8H,6-7H2,1-5H3
InChI Key:
YDSBATBXINPJIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C(NC(=O)OC(C)(C)C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.131g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties