methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate

C13H23N3O5 — CID 62953322

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O5/c1-14-4-6-16(7-5-14)11(17)8-15(9-12(18)20-2)10-13(19)21-3/h4-10H2,1-3H3
InChIKeyLWINHWSYBPGDMA-UHFFFAOYSA-N
MW301.34 g/mol
LogP-1.59
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate (PubChem CID 62953322) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
PubChem CID62953322
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O5/c1-14-4-6-16(7-5-14)11(17)8-15(9-12(18)20-2)10-13(19)21-3/h4-10H2,1-3H3
InChIKeyLWINHWSYBPGDMA-UHFFFAOYSA-N
XLogP-1.59
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
CID 62012533
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 59935061
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 8-[2-[decyl(nonyl)amino]ethyl-[2-[4-[2-[di(nonyl)amino]acetyl]piperazin-1-yl]-2-oxoethyl]amino]octanoate
CID 146540801
2-[[2-[4,7-bis[2-[bis(carboxymethyl)amino]acetyl]-1,4,7-triazonan-1-yl]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 10304966
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 107494811
2-bromo-1-(4-methylpiperazin-1-yl)ethanone;chloromethane
CID 161165311
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate (CID 62953322) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate is COC(=O)CN(CC(=O)OC)CC(=O)N1CCN(C)CC1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate?
The InChIKey is LWINHWSYBPGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-14-4-6-16(7-5-14)11(17)8-15(9-12(18)20-2)10-13(19)21-3/h4-10H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate has a molecular weight of 301.34 g/mol, XLogP of -1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 62953322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).