Home > Compound List > Compound details
220497-61-0 molecular structure
click picture or here to close

(2S)-2-cyclopentyl-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid

ChemBase ID: 38668
Molecular Formular: C22H23NO4
Molecular Mass: 365.42232
Monoisotopic Mass: 365.16270822
SMILES and InChIs

SMILES:
[C@H](C1CCCC1)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
O=C(N[C@@H](C1CCCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C22H23NO4/c24-21(25)20(14-7-1-2-8-14)23-22(26)27-13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,14,19-20H,1-2,7-8,13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey:
JGWHUIQSEKGLAQ-FQEVSTJZSA-N

Cite this record

CBID:38668 http://www.chembase.cn/molecule-38668.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-cyclopentyl-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
IUPAC Traditional name
(S)-cyclopentyl({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})acetic acid
Synonyms
Fmoc-cyclopentyl-Gly-OH
CAS Number
220497-61-0
MDL Number
MFCD01311751
PubChem SID
161001975
PubChem CID
7006544

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
041557 external link Add to cart Please log in.
Data Source Data ID
PubChem 7006544 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8629436  H Acceptors
H Donor LogD (pH = 5.5) 2.7167928 
LogD (pH = 7.4) 1.1258821  Log P 4.358224 
Molar Refractivity 100.9725 cm3 Polarizability 40.633385 Å3
Polar Surface Area 75.63 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