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Fmoc-L-β-phenylalanine

CAT: 0926-FF49751-01Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0926-FF49751-01Size:1000 mg
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CAS Number
220498-02-2
Synonyms
Fmoc-L-β-Phe-OH; (R) -3- (Fmoc-amino) -3-phenylpropionic acid
MDL Number
MFCD01311783
Smiles
C1=CC=C (C=C1) [C@@H] (CC (=O) O) NC (=O) OCC2C3=CC=CC=C3C4=CC=CC=C24
Molecular Formula
C24H21NO4
Molecular Weight
387.43 g/mol
Controlled
No

Chemical Information

Fmoc-(R)-3-amino-3-phenylpropionic acid
CAS Number220498-02-2
PubChem CID2734302
IUPAC Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
Molecular FormulaC24H21NO4
Molecular Weight387.4
XLogP4.1
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity551
SMILES
C1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKey
PTSLRPMRTOVHAB-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-(R)-3-amino-3-phenylpropionic acid
CAS: 220498-02-2
CID: 2734302
Formula: C24H21NO4
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass387.14705815
Monoisotopic Mass387.14705815
Topological Polar Surface Area75.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity551
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

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