acetic acid;1-(propoxyamino)oxypropane

C8H19NO4 — CID 173174006

IUPACacetic acid;1-(propoxyamino)oxypropane
SMILESCC(=O)O.CCCONOCCC
InChIInChI=1S/C6H15NO2.C2H4O2/c1-3-5-8-7-9-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyOBLJSLVFUQBXME-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds6

About acetic acid;1-(propoxyamino)oxypropane

acetic acid;1-(propoxyamino)oxypropane (PubChem CID 173174006) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is acetic acid;1-(propoxyamino)oxypropane.

Molecular Properties

Compound Nameacetic acid;1-(propoxyamino)oxypropane
PubChem CID173174006
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Nameacetic acid;1-(propoxyamino)oxypropane
SMILESCC(=O)O.CCCONOCCC
InChIInChI=1S/C6H15NO2.C2H4O2/c1-3-5-8-7-9-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyOBLJSLVFUQBXME-UHFFFAOYSA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1-(dipropoxyamino)oxypropane
CID 173174046
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
acetic acid;ethylsilane
CID 174971257
acetic acid;ruthenium
CID 175502908
acetic acid;pentylmercury
CID 88743685
acetic acid;1-butoxybutane
CID 22256220
1,2-dipropoxyhydrazine
CID 151105951
CID 160895097
CID 160895097
methyl 2-oxo-2-(propoxyamino)acetate
CID 15007507
acetic acid;azane;propane
CID 173127482
acetic acid;methane;propoxycarbonyl acetate
CID 160736833
acetic acid;dibutyl oxalate
CID 175057200

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(propoxyamino)oxypropane?
The IUPAC name of acetic acid;1-(propoxyamino)oxypropane (CID 173174006) is acetic acid;1-(propoxyamino)oxypropane.
What is the SMILES notation for acetic acid;1-(propoxyamino)oxypropane?
The canonical SMILES for acetic acid;1-(propoxyamino)oxypropane is CC(=O)O.CCCONOCCC.
What is the InChIKey of acetic acid;1-(propoxyamino)oxypropane?
The InChIKey is OBLJSLVFUQBXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H4O2/c1-3-5-8-7-9-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(propoxyamino)oxypropane?
acetic acid;1-(propoxyamino)oxypropane has a molecular weight of 193.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(propoxyamino)oxypropane is sourced from PubChem (CID 173174006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).