Home Aminos (3S)-3-amino-3-(5-methylfuran-2-yl)propanoic acid

(3S)-3-amino-3-(5-methylfuran-2-yl)propanoic acid

CAS No.:
1269994-47-9
Catalog Number:
AG01AHZN
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
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Product Description
Catalog Number:
AG01AHZN
Chemical Name:
(3S)-3-amino-3-(5-methylfuran-2-yl)propanoic acid
CAS Number:
1269994-47-9
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD12797111
IUPAC Name:
(3S)-3-amino-3-(5-methylfuran-2-yl)propanoic acid
InChI:
InChI=1S/C8H11NO3/c1-5-2-3-7(12-5)6(9)4-8(10)11/h2-3,6H,4,9H2,1H3,(H,10,11)/t6-/m0/s1
InChI Key:
QOWQYAAGGVGLJV-LURJTMIESA-N
SMILES:
Cc1ccc(o1)[C@H](CC(=O)O)N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5  
Properties