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Boc-Phe (2-Me) -OH

CAT: 0024-sc-223840Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-223840Size:1 g
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CAS Number
114873-05-1

Chemical Information

Boc-L-2-Methylphenylalanine
CAS Number114873-05-1
PubChem CID2761468
IUPAC Name(2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC15H21NO4
Molecular Weight279.33
XLogP2.9
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity348
SMILES
CC1=CC=CC=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(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-/m0/s1
InChIKey
PCGOCPOJLMLJAR-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Boc-L-2-Methylphenylalanine
CAS: 114873-05-1
CID: 2761468
Formula: C15H21NO4
MW: 279.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.33
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass279.14705815
Monoisotopic Mass279.14705815
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes