4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid

C13H25NO5 — CID 155483631

IUPAC4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid
SMILESCOC(C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C13H25NO5/c1-9(18-6)10(11(15)16)13(2,3)12(17)19-8-7-14(4)5/h9-10H,7-8H2,1-6H3,(H,15,16)
InChIKeyAEZCQQJJFIMHBH-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.85
Rot. Bonds8

About 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid

4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid (PubChem CID 155483631) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid
PubChem CID155483631
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid
SMILESCOC(C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C13H25NO5/c1-9(18-6)10(11(15)16)13(2,3)12(17)19-8-7-14(4)5/h9-10H,7-8H2,1-6H3,(H,15,16)
InChIKeyAEZCQQJJFIMHBH-UHFFFAOYSA-N
XLogP0.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid (CID 155483631) is 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid is COC(C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid?
The InChIKey is AEZCQQJJFIMHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-9(18-6)10(11(15)16)13(2,3)12(17)19-8-7-14(4)5/h9-10H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid?
4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid has a molecular weight of 275.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-(1-methoxyethyl)-3,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 155483631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).