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1009120-05-1 molecular structure
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methyl 2-amino-2-(oxetan-3-yl)acetate

ChemBase ID: 65408
Molecular Formular: C6H11NO3
Molecular Mass: 145.15644
Monoisotopic Mass: 145.07389322
SMILES and InChIs

SMILES:
C1C(CO1)C(N)C(=O)OC
Canonical SMILES:
COC(=O)C(C1COC1)N
InChI:
InChI=1S/C6H11NO3/c1-9-6(8)5(7)4-2-10-3-4/h4-5H,2-3,7H2,1H3
InChIKey:
PEBXHAVHVOZWTQ-UHFFFAOYSA-N

Cite this record

CBID:65408 http://www.chembase.cn/molecule-65408.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-amino-2-(oxetan-3-yl)acetate
IUPAC Traditional name
methyl 2-amino-2-(oxetan-3-yl)acetate
Synonyms
2-(Methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CAS Number
1009120-05-1
MDL Number
MFCD14586433
PubChem SID
162031147
PubChem CID
53484287

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 53484287 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7601788  LogD (pH = 7.4) -1.2193866 
Log P -0.9543398  Molar Refractivity 34.1497 cm3
Polarizability 14.102353 Å3 Polar Surface Area 61.55 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
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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