Home > Compound List > Compound details
479064-89-6 molecular structure
click picture or here to close

(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-fluorophenyl)propanoic acid

ChemBase ID: 812538
Molecular Formular: C24H20FNO4
Molecular Mass: 405.4183032
Monoisotopic Mass: 405.13763635
SMILES and InChIs

SMILES:
C(=O)(C[C@@H](c1ccc(cc1)F)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Canonical SMILES:
OC(=O)C[C@@H](c1ccc(cc1)F)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey:
PQXRHKBSMBRBBW-QFIPXVFZSA-N

Cite this record

CBID:812538 http://www.chembase.cn/molecule-812538.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-fluorophenyl)propanoic acid
IUPAC Traditional name
(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid
Synonyms
FMOC-(S)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID
CAS Number
479064-89-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32763 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32763 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1596603  H Acceptors
H Donor LogD (pH = 5.5) 3.2835727 
LogD (pH = 7.4) 1.5800132  Log P 4.6405077 
Molar Refractivity 109.2818 cm3 Polarizability 43.236412 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle