Home > Compound List > Compound details
479064-92-1 molecular structure
click picture or here to close

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

ChemBase ID: 812568
Molecular Formular: C24H20ClNO4
Molecular Mass: 421.8729
Monoisotopic Mass: 421.10808581
SMILES and InChIs

SMILES:
C(=O)(C[C@H](c1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Canonical SMILES:
OC(=O)C[C@H](c1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C24H20ClNO4/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-/m1/s1
InChIKey:
VDMPMJZDURHZTB-JOCHJYFZSA-N

Cite this record

CBID:812568 http://www.chembase.cn/molecule-812568.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-(4-chlorophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
IUPAC Traditional name
(3R)-3-(4-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
Synonyms
FMOC-(R)-3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACID
CAS Number
479064-92-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32795 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32795 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.148287  H Acceptors
H Donor LogD (pH = 5.5) 3.7341068 
LogD (pH = 7.4) 2.0338833  Log P 5.1018505 
Molar Refractivity 113.8702 cm3 Polarizability 45.445988 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

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