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359586-69-9 molecular structure
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(1R,2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid

ChemBase ID: 38430
Molecular Formular: C21H21NO4
Molecular Mass: 351.39574
Monoisotopic Mass: 351.14705816
SMILES and InChIs

SMILES:
C1CC[C@H]([C@@H]1NC(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Canonical SMILES:
O=C(N[C@@H]1CCC[C@H]1C(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C21H21NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-19H,5,10-12H2,(H,22,25)(H,23,24)/t17-,19-/m1/s1
InChIKey:
KTLDVIJVCPIJCM-IEBWSBKVSA-N

Cite this record

CBID:38430 http://www.chembase.cn/molecule-38430.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
IUPAC Traditional name
(1R,2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
Synonyms
(1R,2R)-Fmoc-Acpc
CAS Number
359586-69-9
MDL Number
MFCD04112693
PubChem SID
161001737
PubChem CID
15515903

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 15515903 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.204292  H Acceptors
H Donor LogD (pH = 5.5) 2.4172988 
LogD (pH = 7.4) 0.7013917  Log P 3.7319233 
Molar Refractivity 96.4977 cm3 Polarizability 38.790695 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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