Home > Compound List > Compound details
511272-43-8 molecular structure
click picture or here to close

(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-3-yl)propanoic acid

ChemBase ID: 812559
Molecular Formular: C23H20N2O4
Molecular Mass: 388.4159
Monoisotopic Mass: 388.14230713
SMILES and InChIs

SMILES:
C(=O)(C[C@H](c1cnccc1)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Canonical SMILES:
O=C(N[C@@H](c1cccnc1)CC(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChIKey:
IZXATJNDHWFETN-OAQYLSRUSA-N

Cite this record

CBID:812559 http://www.chembase.cn/molecule-812559.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-3-yl)propanoic acid
IUPAC Traditional name
(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid
Synonyms
FMOC-(R)-3-AMINO-3-(3-PYRIDYL)-PROPIONIC ACID
CAS Number
511272-43-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32785 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32785 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8742533  H Acceptors
H Donor LogD (pH = 5.5) 1.7941189 
LogD (pH = 7.4) 0.17662655  Log P 2.407218 
Molar Refractivity 106.9085 cm3 Polarizability 42.687706 Å3
Polar Surface Area 88.52 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