ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate

C12H19NO3 — CID 60812257

IUPACethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1cc(C)oc1C
InChIInChI=1S/C12H19NO3/c1-5-15-12(14)7-13-9(3)11-6-8(2)16-10(11)4/h6,9,13H,5,7H2,1-4H3
InChIKeyGCFPTBPQDZDXLE-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate

ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate (PubChem CID 60812257) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
PubChem CID60812257
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1cc(C)oc1C
InChIInChI=1S/C12H19NO3/c1-5-15-12(14)7-13-9(3)11-6-8(2)16-10(11)4/h6,9,13H,5,7H2,1-4H3
InChIKeyGCFPTBPQDZDXLE-UHFFFAOYSA-N
XLogP2.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate (CID 60812257) is ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate is CCOC(=O)CNC(C)c1cc(C)oc1C.
What is the InChIKey of ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate?
The InChIKey is GCFPTBPQDZDXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-15-12(14)7-13-9(3)11-6-8(2)16-10(11)4/h6,9,13H,5,7H2,1-4H3.
What are the key properties of ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate?
ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate has a molecular weight of 225.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate is sourced from PubChem (CID 60812257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).