Home Carbonyls 2-((ethoxycarbonyl)(furan-2-ylmethyl)amino)acetic acid

2-((ethoxycarbonyl)(furan-2-ylmethyl)amino)acetic acid

CAS No.:
96683-95-3
Catalog Number:
AG01DKCM
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
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Product Description
Catalog Number:
AG01DKCM
Chemical Name:
2-((ethoxycarbonyl)(furan-2-ylmethyl)amino)acetic acid
CAS Number:
96683-95-3
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
MDL Number:
MFCD31652468
IUPAC Name:
2-[ethoxycarbonyl(furan-2-ylmethyl)amino]acetic acid
InChI:
InChI=1S/C10H13NO5/c1-2-15-10(14)11(7-9(12)13)6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,12,13)
InChI Key:
STTIUFGEAKGSBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(Cc1ccco1)CC(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.216g/mol
Monoisotopic Mass:
227.079g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties