methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate

C14H24N2O3 — CID 55028716

IUPACmethyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O3/c1-16(11-14(18)19-2)10-13(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3,(H,15,17)
InChIKeyPOIFFBPOASGXBP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.10
Rot. Bonds7

About methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate (PubChem CID 55028716) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
PubChem CID55028716
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O3/c1-16(11-14(18)19-2)10-13(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3,(H,15,17)
InChIKeyPOIFFBPOASGXBP-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
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 methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate (CID 55028716) is methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is POIFFBPOASGXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(11-14(18)19-2)10-13(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 268.36 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 55028716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).