5-acetamido-4-oxopentanoic acid

C7H11NO4 — CID 10171277

IUPAC5-acetamido-4-oxopentanoic acid
SMILESCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C7H11NO4/c1-5(9)8-4-6(10)2-3-7(11)12/h2-4H2,1H3,(H,8,9)(H,11,12)
InChIKeyIYASERFKDWBFKA-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.44
Rot. Bonds5

About 5-acetamido-4-oxopentanoic acid

5-acetamido-4-oxopentanoic acid (PubChem CID 10171277) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-acetamido-4-oxopentanoic acid.

Molecular Properties

Compound Name5-acetamido-4-oxopentanoic acid
PubChem CID10171277
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name5-acetamido-4-oxopentanoic acid
SMILESCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C7H11NO4/c1-5(9)8-4-6(10)2-3-7(11)12/h2-4H2,1H3,(H,8,9)(H,11,12)
InChIKeyIYASERFKDWBFKA-UHFFFAOYSA-N
XLogP-0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-oxopentanoic acid?
The IUPAC name of 5-acetamido-4-oxopentanoic acid (CID 10171277) is 5-acetamido-4-oxopentanoic acid.
What is the SMILES notation for 5-acetamido-4-oxopentanoic acid?
The canonical SMILES for 5-acetamido-4-oxopentanoic acid is CC(=O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-acetamido-4-oxopentanoic acid?
The InChIKey is IYASERFKDWBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(9)8-4-6(10)2-3-7(11)12/h2-4H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 5-acetamido-4-oxopentanoic acid?
5-acetamido-4-oxopentanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-oxopentanoic acid is sourced from PubChem (CID 10171277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).