methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate

C11H21NO5 — CID 106456115

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
SMILESCCCOCCN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C11H21NO5/c1-4-6-17-7-5-12(8-10(13)15-2)9-11(14)16-3/h4-9H2,1-3H3
InChIKeyCHRDLTHQZBPJIN-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.06
Rot. Bonds9

About methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate (PubChem CID 106456115) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
PubChem CID106456115
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
SMILESCCCOCCN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C11H21NO5/c1-4-6-17-7-5-12(8-10(13)15-2)9-11(14)16-3/h4-9H2,1-3H3
InChIKeyCHRDLTHQZBPJIN-UHFFFAOYSA-N
XLogP0.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[3-(2-methoxyethoxy)propyl-propylamino]acetate
CID 103411947
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl-[2-oxo-2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethyl]amino]acetamide
CID 168986576
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-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
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-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate (CID 106456115) is methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate is CCCOCCN(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate?
The InChIKey is CHRDLTHQZBPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-4-6-17-7-5-12(8-10(13)15-2)9-11(14)16-3/h4-9H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate has a molecular weight of 247.29 g/mol, XLogP of 0.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate is sourced from PubChem (CID 106456115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).