2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate

C11H23NO3 — CID 20730072

IUPAC2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCN(C)CCO
InChIInChI=1S/C11H23NO3/c1-5-11(2,3)10(14)15-9-7-12(4)6-8-13/h13H,5-9H2,1-4H3
InChIKeyWFGNSGRWBQFGCF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.89
Rot. Bonds7

About 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate

2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate (PubChem CID 20730072) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate
PubChem CID20730072
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCN(C)CCO
InChIInChI=1S/C11H23NO3/c1-5-11(2,3)10(14)15-9-7-12(4)6-8-13/h13H,5-9H2,1-4H3
InChIKeyWFGNSGRWBQFGCF-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate (CID 20730072) is 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCN(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate?
The InChIKey is WFGNSGRWBQFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-11(2,3)10(14)15-9-7-12(4)6-8-13/h13H,5-9H2,1-4H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate?
2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 20730072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).