methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate

C10H19NO4 — CID 121437584

IUPACmethyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate
SMILESCOCCN(C)CC(=O)CCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-11(6-7-14-2)8-9(12)4-5-10(13)15-3/h4-8H2,1-3H3
InChIKeyQQEFNEBAOYIQGM-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.09
Rot. Bonds8

About methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate

methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate (PubChem CID 121437584) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate
PubChem CID121437584
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate
SMILESCOCCN(C)CC(=O)CCC(=O)OC
InChIInChI=1S/C10H19NO4/c1-11(6-7-14-2)8-9(12)4-5-10(13)15-3/h4-8H2,1-3H3
InChIKeyQQEFNEBAOYIQGM-UHFFFAOYSA-N
XLogP0.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate?
The IUPAC name of methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate (CID 121437584) is methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate.
What is the SMILES notation for methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate?
The canonical SMILES for methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate is COCCN(C)CC(=O)CCC(=O)OC.
What is the InChIKey of methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate?
The InChIKey is QQEFNEBAOYIQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-11(6-7-14-2)8-9(12)4-5-10(13)15-3/h4-8H2,1-3H3.
What are the key properties of methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate?
methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate has a molecular weight of 217.26 g/mol, XLogP of 0.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-methoxyethyl(methyl)amino]-4-oxopentanoate is sourced from PubChem (CID 121437584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).