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Home Other Building Blocks (cyclopropylcarbamoyl)methyl 3,5-dimethoxybenzoate

(cyclopropylcarbamoyl)methyl 3,5-dimethoxybenzoate

CAS No.:
380193-95-3
Catalog Number:
AG01ACJW
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
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Product Description
Catalog Number:
AG01ACJW
Chemical Name:
(cyclopropylcarbamoyl)methyl 3,5-dimethoxybenzoate
CAS Number:
380193-95-3
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
MDL Number:
MFCD02718365
IUPAC Name:
[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
InChI:
InChI=1S/C14H17NO5/c1-18-11-5-9(6-12(7-11)19-2)14(17)20-8-13(16)15-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChI Key:
AAMADAOPWSNMMT-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(=O)OCC(=O)NC1CC1
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties