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128107-47-1 molecular structure
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(2R)-3-(tert-butoxy)-2-[(E)-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino]propanoic acid

ChemBase ID: 286766
Molecular Formular: C22H25NO5
Molecular Mass: 383.4376
Monoisotopic Mass: 383.17327291
SMILES and InChIs

SMILES:
CC(C)(C)OC[C@H](C(=O)O)/N=C(\O)/OCC1c2ccccc2c2ccccc12
Canonical SMILES:
OC(=O)[C@H](/N=C(/OCC1c2ccccc2c2c1cccc2)\O)COC(C)(C)C
InChI:
InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKey:
REITVGIIZHFVGU-LJQANCHMSA-N

Cite this record

CBID:286766 http://www.chembase.cn/molecule-286766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-3-(tert-butoxy)-2-[(E)-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino]propanoic acid
IUPAC Traditional name
(2R)-3-(tert-butoxy)-2-[(E)-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino]propanoic acid
Synonyms
Fmoc-O-tert-Butyl-D-serine
CAS Number
128107-47-1
MDL Number
MFCD00077071
PubChem SID
180672297
PubChem CID
7004204

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD17927 Please log in.
Data Source Data ID
PubChem 7004204 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.722303  H Acceptors
H Donor LogD (pH = 5.5) 1.6398909 
LogD (pH = 7.4) -1.6877654  Log P 4.482031 
Molar Refractivity 105.4682 cm3 Polarizability 41.931362 Å3
Polar Surface Area 88.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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