ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate

C15H24N2O3 — CID 78979172

IUPACethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-4-10-17(12-15(19)20-5-2)11-14(18)16(3)13-8-6-7-9-13/h4,8H,1,5-7,9-12H2,2-3H3
InChIKeyBEMXYDLWDMXELH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds8

About ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate

ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate (PubChem CID 78979172) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
PubChem CID78979172
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-4-10-17(12-15(19)20-5-2)11-14(18)16(3)13-8-6-7-9-13/h4,8H,1,5-7,9-12H2,2-3H3
InChIKeyBEMXYDLWDMXELH-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate (CID 78979172) is ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)CC(=O)N(C)C1=CCCC1.
What is the InChIKey of ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate?
The InChIKey is BEMXYDLWDMXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-10-17(12-15(19)20-5-2)11-14(18)16(3)13-8-6-7-9-13/h4,8H,1,5-7,9-12H2,2-3H3.
What are the key properties of ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate has a molecular weight of 280.37 g/mol, XLogP of 1.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78979172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).