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142733-64-0 molecular structure
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tert-butyl N-[(1s,3s)-3-(hydroxymethyl)cyclobutyl]carbamate

ChemBase ID: 63472
Molecular Formular: C10H19NO3
Molecular Mass: 201.26276
Monoisotopic Mass: 201.13649347
SMILES and InChIs

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

Cite this record

CBID:63472 http://www.chembase.cn/molecule-63472.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(1s,3s)-3-(hydroxymethyl)cyclobutyl]carbamate
IUPAC Traditional name
tert-butyl N-[(1s,3s)-3-(hydroxymethyl)cyclobutyl]carbamate
Synonyms
tert-Butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate
CAS Number
142733-64-0
MDL Number
MFCD08436074
PubChem SID
162029211
PubChem CID
22408683

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 22408683 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.986256  H Acceptors
H Donor LogD (pH = 5.5) 0.7050659 
LogD (pH = 7.4) 0.7050659  Log P 0.7050659 
Molar Refractivity 53.0043 cm3 Polarizability 20.97339 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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