methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate

C11H18N2O4 — CID 58551932

IUPACmethyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate
SMILESCOC(=O)Cc1coc(C(C)C(C)NON)c1
InChIInChI=1S/C11H18N2O4/c1-7(8(2)13-17-12)10-4-9(6-16-10)5-11(14)15-3/h4,6-8,13H,5,12H2,1-3H3
InChIKeyQJMKORPNZLWQHI-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.88
Rot. Bonds6

About methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate

methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate (PubChem CID 58551932) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate
PubChem CID58551932
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate
SMILESCOC(=O)Cc1coc(C(C)C(C)NON)c1
InChIInChI=1S/C11H18N2O4/c1-7(8(2)13-17-12)10-4-9(6-16-10)5-11(14)15-3/h4,6-8,13H,5,12H2,1-3H3
InChIKeyQJMKORPNZLWQHI-UHFFFAOYSA-N
XLogP0.88
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate?
The IUPAC name of methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate (CID 58551932) is methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate?
The canonical SMILES for methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate is COC(=O)Cc1coc(C(C)C(C)NON)c1.
What is the InChIKey of methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate?
The InChIKey is QJMKORPNZLWQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(8(2)13-17-12)10-4-9(6-16-10)5-11(14)15-3/h4,6-8,13H,5,12H2,1-3H3.
What are the key properties of methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate?
methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate has a molecular weight of 242.27 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[3-(aminooxyamino)butan-2-yl]furan-3-yl]acetate is sourced from PubChem (CID 58551932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).