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

C14H25NO6 — CID 155483636

IUPAC2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid
SMILESCC(=O)OC(C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H25NO6/c1-9(21-10(2)16)11(12(17)18)14(3,4)13(19)20-8-7-15(5)6/h9,11H,7-8H2,1-6H3,(H,17,18)
InChIKeyRVPZAJHJOKMVGY-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.77
Rot. Bonds8

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

2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid (PubChem CID 155483636) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid
PubChem CID155483636
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid
SMILESCC(=O)OC(C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H25NO6/c1-9(21-10(2)16)11(12(17)18)14(3,4)13(19)20-8-7-15(5)6/h9,11H,7-8H2,1-6H3,(H,17,18)
InChIKeyRVPZAJHJOKMVGY-UHFFFAOYSA-N
XLogP0.77
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid (CID 155483636) is 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid is CC(=O)OC(C)C(C(=O)O)C(C)(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid?
The InChIKey is RVPZAJHJOKMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-9(21-10(2)16)11(12(17)18)14(3,4)13(19)20-8-7-15(5)6/h9,11H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid?
2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid has a molecular weight of 303.36 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyloxyethyl)-4-[2-(dimethylamino)ethoxy]-3,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 155483636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).