ethyl 2-(methylaminooxy)acetate

C5H11NO3 — CID 15922728

IUPACethyl 2-(methylaminooxy)acetate
SMILESCCOC(=O)CONC
InChIInChI=1S/C5H11NO3/c1-3-8-5(7)4-9-6-2/h6H,3-4H2,1-2H3
InChIKeyLDQQDLADOKXFTM-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.30
Rot. Bonds4

About ethyl 2-(methylaminooxy)acetate

ethyl 2-(methylaminooxy)acetate (PubChem CID 15922728) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl 2-(methylaminooxy)acetate.

Molecular Properties

Compound Nameethyl 2-(methylaminooxy)acetate
PubChem CID15922728
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl 2-(methylaminooxy)acetate
SMILESCCOC(=O)CONC
InChIInChI=1S/C5H11NO3/c1-3-8-5(7)4-9-6-2/h6H,3-4H2,1-2H3
InChIKeyLDQQDLADOKXFTM-UHFFFAOYSA-N
XLogP-0.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propyl 2-(methylaminooxy)acetate;hydrochloride
CID 175521623
CID 172843337
CID 172843337
methyl 2-(methylaminooxy)acetate
CID 87955923
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
benzene;ethyl 2-ethoxyacetate
CID 174867683
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethyl propanoate;tin(2+);dichloride
CID 171374953
potassium;diethyl propanedioate;sulfanide
CID 159289328
butane;diethyl propanedioate
CID 87110467
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylaminooxy)acetate?
The IUPAC name of ethyl 2-(methylaminooxy)acetate (CID 15922728) is ethyl 2-(methylaminooxy)acetate.
What is the SMILES notation for ethyl 2-(methylaminooxy)acetate?
The canonical SMILES for ethyl 2-(methylaminooxy)acetate is CCOC(=O)CONC.
What is the InChIKey of ethyl 2-(methylaminooxy)acetate?
The InChIKey is LDQQDLADOKXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3-8-5(7)4-9-6-2/h6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(methylaminooxy)acetate?
ethyl 2-(methylaminooxy)acetate has a molecular weight of 133.15 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylaminooxy)acetate is sourced from PubChem (CID 15922728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).