2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate

C11H21NO4 — CID 20715426

IUPAC2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate
SMILESCCC(=O)OCCN(C)CCOC(=O)CC
InChIInChI=1S/C11H21NO4/c1-4-10(13)15-8-6-12(3)7-9-16-11(14)5-2/h4-9H2,1-3H3
InChIKeyUGDMDSQJPUDXDA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.82
Rot. Bonds8

About 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate

2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate (PubChem CID 20715426) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate.

Molecular Properties

Compound Name2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate
PubChem CID20715426
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate
SMILESCCC(=O)OCCN(C)CCOC(=O)CC
InChIInChI=1S/C11H21NO4/c1-4-10(13)15-8-6-12(3)7-9-16-11(14)5-2/h4-9H2,1-3H3
InChIKeyUGDMDSQJPUDXDA-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate?
The IUPAC name of 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate (CID 20715426) is 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate.
What is the SMILES notation for 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate?
The canonical SMILES for 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate is CCC(=O)OCCN(C)CCOC(=O)CC.
What is the InChIKey of 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate?
The InChIKey is UGDMDSQJPUDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-10(13)15-8-6-12(3)7-9-16-11(14)5-2/h4-9H2,1-3H3.
What are the key properties of 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate?
2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate has a molecular weight of 231.29 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-propanoyloxyethyl)amino]ethyl propanoate is sourced from PubChem (CID 20715426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).