Boc-Phe (2-CN) -OH

CAT: 0024-sc-227490Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227490Size:1 g

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CAS Number

216312-53-7

Chemical Information

Boc-2-cyano-L-phenylalanine

CAS Number	216312-53-7
PubChem CID	2761475
IUPAC Name	(2S)-3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C15H18N2O4
Molecular Weight	290.31
XLogP	2.2
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	433

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1C#N)C(=O)O

InChI

InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1

InChIKey

AJHPGXZOIAYYDW-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 216312-53-7

CID: 2761475

Formula: C15H18N2O4

MW: 290.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.31
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	290.12665706
Monoisotopic Mass	290.12665706
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	433
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes