Home > Compound List > Compound details
201484-12-0 molecular structure
click picture or here to close

(2R)-4-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

ChemBase ID: 38675
Molecular Formular: C19H20N2O4
Molecular Mass: 340.3731
Monoisotopic Mass: 340.14230713
SMILES and InChIs

SMILES:
O=C([C@@H](CCN)NC(=O)OCC1c2c(c3c1cccc3)cccc2)O
Canonical SMILES:
NCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C19H20N2O4/c20-10-9-17(18(22)23)21-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11,20H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKey:
ZZDRDGKSMGGBDI-QGZVFWFLSA-N

Cite this record

CBID:38675 http://www.chembase.cn/molecule-38675.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-4-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
IUPAC Traditional name
(2R)-4-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
Synonyms
Fmoc-D-alpha,gamma-diaminobutyric acid
CAS Number
201484-12-0
MDL Number
MFCD00237018
PubChem SID
161001982
PubChem CID
7019710

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
041564 external link Add to cart Please log in.
Data Source Data ID
PubChem 7019710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4882355  H Acceptors
H Donor LogD (pH = 5.5) -0.31456774 
LogD (pH = 7.4) -0.3128515  Log P -0.31186482 
Molar Refractivity 92.6437 cm3 Polarizability 37.362446 Å3
Polar Surface Area 101.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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