methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate

C14H20N2O4 — CID 55856596

IUPACmethyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CO/N=C(/N)C2CCCC2)cc1C
InChIInChI=1S/C14H20N2O4/c1-9-7-11(20-12(9)14(17)18-2)8-19-16-13(15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H2,15,16)
InChIKeyMROUZIVGISFJEO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.35
Rot. Bonds5

About methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate

methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate (PubChem CID 55856596) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
PubChem CID55856596
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CO/N=C(/N)C2CCCC2)cc1C
InChIInChI=1S/C14H20N2O4/c1-9-7-11(20-12(9)14(17)18-2)8-19-16-13(15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H2,15,16)
InChIKeyMROUZIVGISFJEO-UHFFFAOYSA-N
XLogP2.35
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate (CID 55856596) is methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CO/N=C(/N)C2CCCC2)cc1C.
What is the InChIKey of methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate?
The InChIKey is MROUZIVGISFJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-7-11(20-12(9)14(17)18-2)8-19-16-13(15)10-5-3-4-6-10/h7,10H,3-6,8H2,1-2H3,(H2,15,16).
What are the key properties of methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate?
methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(E)-[amino(cyclopentyl)methylidene]amino]oxymethyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 55856596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).