CAS 198545-46-9|(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acid|FMOC-D-2-Fluorophenylalanine|(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(2-fluorophenyl)prop...

General Information

Structure

Molecular Formula

C₂₄H₂₀FNO₄

Molecular Mass

405.4183032

Exact Mass

405.13763635

Charge

InChI

InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1

InChIKey

ARHOAMSIDCQWEW-JOCHJYFZSA-N

Canonic Smiles

O=C(N[C@@H](C(=O)O)Cc1ccccc1F)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

O=C([C@@H](Cc1ccccc1F)NC(=O)OCC1c2c(c3c1cccc3)cccc2)O

Calculated Properties

JChem

Acid pKa

3.803513

H Acceptors

H Donor

LogD (pH = 5.5)

3.1455426

LogD (pH = 7.4)

1.5835793

Log P

4.8443456

Molar Refractivity

109.4125

Polarizability

43.238777

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acidFMOC-D-2-Fluorophenylalanine2-Fluoro-D-phenylalanine, N-FMOC protectedFmoc-D-2-氟苯丙氨酸Fmoc-2-fluoro-D-phenylalanineFmoc-D-Phe(2-F)-OH

IUPAC name

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acid

IUPAC Traditional name

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acid

Names and Identifiers

Registration numbers

PubChem SID

24871400160971006

MDL Number

MFCD00672553

CAS Number

198545-46-9