Home Carbonyls b-Alanine, N-methyl-N-[(phenylmethoxy)carbonyl]-

b-Alanine, N-methyl-N-[(phenylmethoxy)carbonyl]-

CAS No.:
121148-97-8
Catalog Number:
AG00HFWJ
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
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Product Description
Catalog Number:
AG00HFWJ
Chemical Name:
b-Alanine, N-methyl-N-[(phenylmethoxy)carbonyl]-
CAS Number:
121148-97-8
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD02094391
IUPAC Name:
3-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
InChI:
InChI=1S/C12H15NO4/c1-13(8-7-11(14)15)12(16)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)
InChI Key:
JOAXIARPFFSPAS-UHFFFAOYSA-N
SMILES:
CN(C(=O)OCc1ccccc1)CCC(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties