sales@angenesci.com
Login | Register
logo
Structures Search
Home Carbonyls Glycine, N-(1,3-benzodioxol-5-ylcarbonyl)-

Glycine, N-(1,3-benzodioxol-5-ylcarbonyl)-

CAS No.:
27855-25-0
Catalog Number:
AG002UY3
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002UY3
Chemical Name:
Glycine, N-(1,3-benzodioxol-5-ylcarbonyl)-
CAS Number:
27855-25-0
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
MDL Number:
MFCD00617653
IUPAC Name:
2-(1,3-benzodioxole-5-carbonylamino)acetic acid
InChI:
InChI=1S/C10H9NO5/c12-9(13)4-11-10(14)6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)
InChI Key:
FWHKWFNOFSQUIU-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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