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114873-14-2 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
CAS No: 114873-14-2 Catalog No: AG000FDO MDL No:MFCD01862943
Product Description
Catalog Number:
AG000FDO
Chemical Name:
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
CAS Number:
114873-14-2
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD01862943
IUPAC Name:
(2R)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI Key:
HBBXWMALJNZDOM-GFCCVEGCSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1cccc(c1)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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