2-acetamido-5-ethoxy-5-oxopentanoic acid

C9H15NO5 — CID 14033092

IUPAC2-acetamido-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CCC(NC(C)=O)C(=O)O
InChIInChI=1S/C9H15NO5/c1-3-15-8(12)5-4-7(9(13)14)10-6(2)11/h7H,3-5H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyZVRKBFMAKKDMCL-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.08
Rot. Bonds6

About 2-acetamido-5-ethoxy-5-oxopentanoic acid

2-acetamido-5-ethoxy-5-oxopentanoic acid (PubChem CID 14033092) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-acetamido-5-ethoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-acetamido-5-ethoxy-5-oxopentanoic acid
PubChem CID14033092
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-acetamido-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CCC(NC(C)=O)C(=O)O
InChIInChI=1S/C9H15NO5/c1-3-15-8(12)5-4-7(9(13)14)10-6(2)11/h7H,3-5H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyZVRKBFMAKKDMCL-UHFFFAOYSA-N
XLogP-0.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-ethoxy-5-oxopentanoic acid?
The IUPAC name of 2-acetamido-5-ethoxy-5-oxopentanoic acid (CID 14033092) is 2-acetamido-5-ethoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-acetamido-5-ethoxy-5-oxopentanoic acid?
The canonical SMILES for 2-acetamido-5-ethoxy-5-oxopentanoic acid is CCOC(=O)CCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-5-ethoxy-5-oxopentanoic acid?
The InChIKey is ZVRKBFMAKKDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-3-15-8(12)5-4-7(9(13)14)10-6(2)11/h7H,3-5H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 2-acetamido-5-ethoxy-5-oxopentanoic acid?
2-acetamido-5-ethoxy-5-oxopentanoic acid has a molecular weight of 217.22 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-ethoxy-5-oxopentanoic acid is sourced from PubChem (CID 14033092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).