1-aminooxy-3-ethoxypropan-2-one

C5H11NO3 — CID 163799340

IUPAC1-aminooxy-3-ethoxypropan-2-one
SMILESCCOCC(=O)CON
InChIInChI=1S/C5H11NO3/c1-2-8-3-5(7)4-9-6/h2-4,6H2,1H3
InChIKeyABZZXMLWRCPWFQ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.52
Rot. Bonds5

About 1-aminooxy-3-ethoxypropan-2-one

1-aminooxy-3-ethoxypropan-2-one (PubChem CID 163799340) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-aminooxy-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-aminooxy-3-ethoxypropan-2-one
PubChem CID163799340
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name1-aminooxy-3-ethoxypropan-2-one
SMILESCCOCC(=O)CON
InChIInChI=1S/C5H11NO3/c1-2-8-3-5(7)4-9-6/h2-4,6H2,1H3
InChIKeyABZZXMLWRCPWFQ-UHFFFAOYSA-N
XLogP-0.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.52
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

2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
CID 158293749
methyl 4-ethoxy-3-oxobutanoate
CID 54303951
1-ethoxy-3-ethylsulfanylpropan-2-one
CID 79567290
5-chloro-1-ethoxypentan-2-one
CID 79566492
5-amino-1-ethoxyhexan-2-one
CID 116571563
ethyl 5-ethoxy-2,4-dioxopentanoate
CID 88913008
1-ethoxy-3-(methylamino)propan-2-one
CID 116553693
2-ethoxyacetic acid
CID 159744705
bis(4-ethoxybutane-1,3-dione);titanium(2+)
CID 158401883
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
1-ethoxyhexadecan-2-one
CID 58991968
carbonic acid;2-ethoxyacetic acid
CID 174869478

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-ethoxypropan-2-one?
The IUPAC name of 1-aminooxy-3-ethoxypropan-2-one (CID 163799340) is 1-aminooxy-3-ethoxypropan-2-one.
What is the SMILES notation for 1-aminooxy-3-ethoxypropan-2-one?
The canonical SMILES for 1-aminooxy-3-ethoxypropan-2-one is CCOCC(=O)CON.
What is the InChIKey of 1-aminooxy-3-ethoxypropan-2-one?
The InChIKey is ABZZXMLWRCPWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-8-3-5(7)4-9-6/h2-4,6H2,1H3.
What are the key properties of 1-aminooxy-3-ethoxypropan-2-one?
1-aminooxy-3-ethoxypropan-2-one has a molecular weight of 133.15 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-ethoxypropan-2-one is sourced from PubChem (CID 163799340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).