Home Aminos Benzenepentanoic acid, b-amino-, methyl ester

Benzenepentanoic acid, b-amino-, methyl ester

CAS No.:
129042-97-3
Catalog Number:
AG01DTC0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
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Product Description
Catalog Number:
AG01DTC0
Chemical Name:
Benzenepentanoic acid, b-amino-, methyl ester
CAS Number:
129042-97-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD18907139
IUPAC Name:
methyl 3-amino-5-phenylpentanoate
InChI:
InChI=1S/C12H17NO2/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChI Key:
XSSNVSFNSNFGFA-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CCc1ccccc1)N
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties