2-[methyl(2-oxidoethyl)amino]ethanolate

C5H11NO2-2 — CID 102469150

IUPAC2-[methyl(2-oxidoethyl)amino]ethanolate
SMILESCN(CC[O-])CC[O-]
InChIInChI=1S/C5H11NO2/c1-6(2-4-7)3-5-8/h2-5H2,1H3/q-2
InChIKeyLFGKHWHTOZYDBB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-2.36
Rot. Bonds4

About 2-[methyl(2-oxidoethyl)amino]ethanolate

2-[methyl(2-oxidoethyl)amino]ethanolate (PubChem CID 102469150) has the molecular formula C5H11NO2-2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-[methyl(2-oxidoethyl)amino]ethanolate.

Molecular Properties

Compound Name2-[methyl(2-oxidoethyl)amino]ethanolate
PubChem CID102469150
Molecular FormulaC5H11NO2-2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-[methyl(2-oxidoethyl)amino]ethanolate
SMILESCN(CC[O-])CC[O-]
InChIInChI=1S/C5H11NO2/c1-6(2-4-7)3-5-8/h2-5H2,1H3/q-2
InChIKeyLFGKHWHTOZYDBB-UHFFFAOYSA-N
XLogP-2.36
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-2.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-oxidoethyl)amino]ethanolate?
The IUPAC name of 2-[methyl(2-oxidoethyl)amino]ethanolate (CID 102469150) is 2-[methyl(2-oxidoethyl)amino]ethanolate.
What is the SMILES notation for 2-[methyl(2-oxidoethyl)amino]ethanolate?
The canonical SMILES for 2-[methyl(2-oxidoethyl)amino]ethanolate is CN(CC[O-])CC[O-].
What is the InChIKey of 2-[methyl(2-oxidoethyl)amino]ethanolate?
The InChIKey is LFGKHWHTOZYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6(2-4-7)3-5-8/h2-5H2,1H3/q-2.
What are the key properties of 2-[methyl(2-oxidoethyl)amino]ethanolate?
2-[methyl(2-oxidoethyl)amino]ethanolate has a molecular weight of 117.15 g/mol, XLogP of -2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-oxidoethyl)amino]ethanolate is sourced from PubChem (CID 102469150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).