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167465-99-8 molecular structure
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tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate

ChemBase ID: 288643
Molecular Formular: C10H19NO3
Molecular Mass: 201.26276
Monoisotopic Mass: 201.13649347
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](O)C1
Canonical SMILES:
O[C@@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C
InChI:
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m0/s1
InChIKey:
SBUKINULYZANSP-JGVFFNPUSA-N

Cite this record

CBID:288643 http://www.chembase.cn/molecule-288643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate
IUPAC Traditional name
tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate
Synonyms
tert-Butyl ((1S,3R)-3-hydroxycyclopentyl)carbamate
CAS Number
167465-99-8
MDL Number
MFCD11878011
PubChem SID
180674174
PubChem CID
21637081

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD210697 Please log in.
Data Source Data ID
PubChem 21637081 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.846884  H Acceptors
H Donor LogD (pH = 5.5) 0.7618278 
LogD (pH = 7.4) 0.7618278  Log P 0.7618278 
Molar Refractivity 52.8309 cm3 Polarizability 20.97339 Å3
Polar Surface Area 58.56 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

INTERNET

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