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139265-11-5 | L-Alanine, N-(1-oxo-4-phenylpentyl)-
CAS No: 139265-11-5 Catalog No: AG001AMC MDL No:
Product Description
Catalog Number:
AG001AMC
Chemical Name:
L-Alanine, N-(1-oxo-4-phenylpentyl)-
CAS Number:
139265-11-5
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
2-(4-phenylpentanoylamino)propanoic acid
InChI:
InChI=1S/C14H19NO3/c1-10(12-6-4-3-5-7-12)8-9-13(16)15-11(2)14(17)18/h3-7,10-11H,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
WHFLWERHFDQCNX-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)C)CCC(c1ccccc1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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