methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate

C12H24N2O6 — CID 19426049

IUPACmethyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCN(CCO)CCO)CC(=O)OC
InChIInChI=1S/C12H24N2O6/c1-19-11(17)9-14(10-12(18)20-2)4-3-13(5-7-15)6-8-16/h15-16H,3-10H2,1-2H3
InChIKeyXFWQWLAYMRRFPB-UHFFFAOYSA-N
MW292.33 g/mol
LogP-2.08
Rot. Bonds11

About methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 19426049) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID19426049
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Namemethyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCN(CCO)CCO)CC(=O)OC
InChIInChI=1S/C12H24N2O6/c1-19-11(17)9-14(10-12(18)20-2)4-3-13(5-7-15)6-8-16/h15-16H,3-10H2,1-2H3
InChIKeyXFWQWLAYMRRFPB-UHFFFAOYSA-N
XLogP-2.08
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate
CID 175527812
methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 79355102
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 19426049) is methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CCN(CCO)CCO)CC(=O)OC.
What is the InChIKey of methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is XFWQWLAYMRRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-19-11(17)9-14(10-12(18)20-2)4-3-13(5-7-15)6-8-16/h15-16H,3-10H2,1-2H3.
What are the key properties of methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 292.33 g/mol, XLogP of -2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 19426049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).