3-acetamido-4-oxopentanoic acid

C7H11NO4 — CID 57119459

IUPAC3-acetamido-4-oxopentanoic acid
SMILESCC(=O)NC(CC(=O)O)C(C)=O
InChIInChI=1S/C7H11NO4/c1-4(9)6(3-7(11)12)8-5(2)10/h6H,3H2,1-2H3,(H,8,10)(H,11,12)
InChIKeyWOJLKCCEDGTOFU-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.45
Rot. Bonds4

About 3-acetamido-4-oxopentanoic acid

3-acetamido-4-oxopentanoic acid (PubChem CID 57119459) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-acetamido-4-oxopentanoic acid.

Molecular Properties

Compound Name3-acetamido-4-oxopentanoic acid
PubChem CID57119459
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-acetamido-4-oxopentanoic acid
SMILESCC(=O)NC(CC(=O)O)C(C)=O
InChIInChI=1S/C7H11NO4/c1-4(9)6(3-7(11)12)8-5(2)10/h6H,3H2,1-2H3,(H,8,10)(H,11,12)
InChIKeyWOJLKCCEDGTOFU-UHFFFAOYSA-N
XLogP-0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-oxopentanoic acid?
The IUPAC name of 3-acetamido-4-oxopentanoic acid (CID 57119459) is 3-acetamido-4-oxopentanoic acid.
What is the SMILES notation for 3-acetamido-4-oxopentanoic acid?
The canonical SMILES for 3-acetamido-4-oxopentanoic acid is CC(=O)NC(CC(=O)O)C(C)=O.
What is the InChIKey of 3-acetamido-4-oxopentanoic acid?
The InChIKey is WOJLKCCEDGTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(9)6(3-7(11)12)8-5(2)10/h6H,3H2,1-2H3,(H,8,10)(H,11,12).
What are the key properties of 3-acetamido-4-oxopentanoic acid?
3-acetamido-4-oxopentanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-oxopentanoic acid is sourced from PubChem (CID 57119459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).