Home Other Building Blocks (2S)-3-(3,4-dimethoxyphenyl)-2-acetamido-2-methylpropanoic acid

(2S)-3-(3,4-dimethoxyphenyl)-2-acetamido-2-methylpropanoic acid

CAS No.:
16825-27-7
Catalog Number:
AG01AMWB
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
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Product Description
Catalog Number:
AG01AMWB
Chemical Name:
(2S)-3-(3,4-dimethoxyphenyl)-2-acetamido-2-methylpropanoic acid
CAS Number:
16825-27-7
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
MDL Number:
MFCD29034048
IUPAC Name:
(2S)-2-acetamido-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C14H19NO5/c1-9(16)15-14(2,13(17)18)8-10-5-6-11(19-3)12(7-10)20-4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)/t14-/m0/s1
InChI Key:
VIQGMKBBYLJABC-AWEZNQCLSA-N
SMILES:
COc1cc(ccc1OC)C[C@@](C(=O)O)(NC(=O)C)C
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties