Home Aminos (2S)-3-methyl-2-(phenylamino)butanoic acid

(2S)-3-methyl-2-(phenylamino)butanoic acid

CAS No.:
21671-21-6
Catalog Number:
AG01DW8N
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
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Product Description
Catalog Number:
AG01DW8N
Chemical Name:
(2S)-3-methyl-2-(phenylamino)butanoic acid
CAS Number:
21671-21-6
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD20638422
IUPAC Name:
(2S)-2-anilino-3-methylbutanoic acid
InChI:
InChI=1S/C11H15NO2/c1-8(2)10(11(13)14)12-9-6-4-3-5-7-9/h3-8,10,12H,1-2H3,(H,13,14)/t10-/m0/s1
InChI Key:
MBRPCSKHPRLQQQ-JTQLQIEISA-N
SMILES:
CC([C@@H](C(=O)O)Nc1ccccc1)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties