4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid

C11H20N2O5 — CID 57128648

IUPAC4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(=O)OCCN(C)C
InChIInChI=1S/C11H20N2O5/c1-8(14)12-9(4-5-10(15)16)11(17)18-7-6-13(2)3/h9H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyDCSVKSXMGRYPQT-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.54
Rot. Bonds8

About 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid

4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid (PubChem CID 57128648) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
PubChem CID57128648
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(=O)OCCN(C)C
InChIInChI=1S/C11H20N2O5/c1-8(14)12-9(4-5-10(15)16)11(17)18-7-6-13(2)3/h9H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyDCSVKSXMGRYPQT-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The IUPAC name of 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid (CID 57128648) is 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid.
What is the SMILES notation for 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The canonical SMILES for 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid is CC(=O)NC(CCC(=O)O)C(=O)OCCN(C)C.
What is the InChIKey of 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
The InChIKey is DCSVKSXMGRYPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(14)12-9(4-5-10(15)16)11(17)18-7-6-13(2)3/h9H,4-7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid?
4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid is sourced from PubChem (CID 57128648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).