ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate

C10H17NO3 — CID 103265382

IUPACethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
SMILESCC#CCNCCOCC(=O)OCC
InChIInChI=1S/C10H17NO3/c1-3-5-6-11-7-8-13-9-10(12)14-4-2/h11H,4,6-9H2,1-2H3
InChIKeyOROXEUHTRFWDNH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.18
Rot. Bonds7

About ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate

ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate (PubChem CID 103265382) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
PubChem CID103265382
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
SMILESCC#CCNCCOCC(=O)OCC
InChIInChI=1S/C10H17NO3/c1-3-5-6-11-7-8-13-9-10(12)14-4-2/h11H,4,6-9H2,1-2H3
InChIKeyOROXEUHTRFWDNH-UHFFFAOYSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate (CID 103265382) is ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate is CC#CCNCCOCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate?
The InChIKey is OROXEUHTRFWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-6-11-7-8-13-9-10(12)14-4-2/h11H,4,6-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate?
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate has a molecular weight of 199.25 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate is sourced from PubChem (CID 103265382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).