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68892-06-8 molecular structure
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methyl 2-(N-methylformamido)acetate

ChemBase ID: 292085
Molecular Formular: C5H9NO3
Molecular Mass: 131.12986
Monoisotopic Mass: 131.05824315
SMILES and InChIs

SMILES:
O=C(OC)CN(C)C=O
Canonical SMILES:
CN(C=O)CC(=O)OC
InChI:
InChI=1S/C5H9NO3/c1-6(4-7)3-5(8)9-2/h4H,3H2,1-2H3
InChIKey:
YPHUWLXQOBCRNQ-UHFFFAOYSA-N

Cite this record

CBID:292085 http://www.chembase.cn/molecule-292085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(N-methylformamido)acetate
IUPAC Traditional name
methyl 2-(N-methylformamido)acetate
Synonyms
Methyl 2-(N-methylformamido)acetate
CAS Number
68892-06-8
MDL Number
MFCD20529543
PubChem SID
180677616
PubChem CID
111692

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD239733 Please log in.
Data Source Data ID
PubChem 111692 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0077575  LogD (pH = 7.4) -1.0077575 
Log P -1.0077575  Molar Refractivity 30.6225 cm3
Polarizability 12.024231 Å3 Polar Surface Area 46.61 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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