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198561-87-4 molecular structure
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9H-fluoren-9-ylmethyl N-[(2R)-1-(tert-butoxy)-3-hydroxypropan-2-yl]carbamate

ChemBase ID: 298232
Molecular Formular: C22H27NO4
Molecular Mass: 369.45408
Monoisotopic Mass: 369.19400835
SMILES and InChIs

SMILES:
C([C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Canonical SMILES:
OC[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)COC(C)(C)C
InChI:
InChI=1S/C22H27NO4/c1-22(2,3)27-13-15(12-24)23-21(25)26-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,24H,12-14H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKey:
CPEHAICNNOERSX-OAHLLOKOSA-N

Cite this record

CBID:298232 http://www.chembase.cn/molecule-298232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-9-ylmethyl N-[(2R)-1-(tert-butoxy)-3-hydroxypropan-2-yl]carbamate
IUPAC Traditional name
9H-fluoren-9-ylmethyl N-[(2R)-1-(tert-butoxy)-3-hydroxypropan-2-yl]carbamate
Synonyms
N-Fmoc-L-Ser(tBu)-ol
N-Fmoc-O-tert-butyl-L-serinol
(R)-2-(Fmoc-amino)-3-tert-butoxy-1-propanol
(R)-2-(Fmoc-氨基)-3-叔丁氧基-1-丙醇
CAS Number
198561-87-4
MDL Number
MFCD00235946
PubChem SID
180683763
PubChem CID
7019532

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 7019532 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.064661  H Acceptors
H Donor LogD (pH = 5.5) 3.3752186 
LogD (pH = 7.4) 3.3752186  Log P 3.3752186 
Molar Refractivity 104.8102 cm3 Polarizability 42.171005 Å3
Polar Surface Area 67.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
TSCA Listed
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Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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