Home > Compound List > Compound details
1217662-55-9 molecular structure
click picture or here to close

(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(furan-2-yl)propanoic acid

ChemBase ID: 812260
Molecular Formular: C22H19NO5
Molecular Mass: 377.38996
Monoisotopic Mass: 377.12632271
SMILES and InChIs

SMILES:
C(=O)(C[C@H](c1occc1)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Canonical SMILES:
O=C(N[C@@H](c1ccco1)CC(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C22H19NO5/c24-21(25)12-19(20-10-5-11-27-20)23-22(26)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19H,12-13H2,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKey:
WNBKREXSNCMGTJ-LJQANCHMSA-N

Cite this record

CBID:812260 http://www.chembase.cn/molecule-812260.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-(furan-2-yl)propanoic acid
IUPAC Traditional name
(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(furan-2-yl)propanoic acid
Synonyms
FMOC-(R)-3-AMINO-3-(2-FURYL)-PROPIONIC ACID
CAS Number
1217662-55-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32099 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32099 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3572054  H Acceptors
H Donor LogD (pH = 5.5) 2.3868506 
LogD (pH = 7.4) 0.6374344  Log P 3.5580523 
Molar Refractivity 101.4563 cm3 Polarizability 40.450634 Å3
Polar Surface Area 88.77 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