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

C15H24N2O3 — CID 60670565

IUPACmethyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C15H24N2O3/c1-16(11-15(19)20-2)10-14(18)17(13-8-9-13)12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3
InChIKeyVLQGXDSADRWAAT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.54
Rot. Bonds6

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

methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate (PubChem CID 60670565) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate
PubChem CID60670565
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C15H24N2O3/c1-16(11-15(19)20-2)10-14(18)17(13-8-9-13)12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3
InChIKeyVLQGXDSADRWAAT-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate (CID 60670565) is methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is VLQGXDSADRWAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16(11-15(19)20-2)10-14(18)17(13-8-9-13)12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3.
What are the key properties of methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 280.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60670565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).