Home Aminos Benzenebutanoic acid, β-amino-, (βS)-

Benzenebutanoic acid, β-amino-, (βS)-

CAS No.:
26250-87-3
Catalog Number:
AG002SGU
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG002SGU
Chemical Name:
Benzenebutanoic acid, β-amino-, (βS)-
CAS Number:
26250-87-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD20487677
IUPAC Name:
(3S)-3-amino-4-phenylbutanoic acid
InChI:
InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChI Key:
OFVBLKINTLPEGH-VIFPVBQESA-N
SMILES:
N[C@@H](Cc1ccccc1)CC(=O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties