ethyl 5-acetamido-4-oxopentanoate

C9H15NO4 — CID 10307939

IUPACethyl 5-acetamido-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CNC(C)=O
InChIInChI=1S/C9H15NO4/c1-3-14-9(13)5-4-8(12)6-10-7(2)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyGSLSIIPKQVGUJG-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.03
Rot. Bonds6

About ethyl 5-acetamido-4-oxopentanoate

ethyl 5-acetamido-4-oxopentanoate (PubChem CID 10307939) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 5-acetamido-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-acetamido-4-oxopentanoate
PubChem CID10307939
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 5-acetamido-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CNC(C)=O
InChIInChI=1S/C9H15NO4/c1-3-14-9(13)5-4-8(12)6-10-7(2)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyGSLSIIPKQVGUJG-UHFFFAOYSA-N
XLogP0.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Acetamido-4-oxopentanoic acid
CID 10171277
methyl 5-[[(2S)-2-acetamidopropanoyl]amino]-4-oxopentanoate
CID 12184006
Methyl 5-[(2-acetamidoacetyl)amino]-4-oxopentanoate
CID 12184005
5-[(4-Methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid
CID 57339528
methyl 5-[[(2R)-2-acetamidopropanoyl]amino]-4-oxopentanoate
CID 12184007
methyl 5-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-4-oxopentanoate
CID 44186323
Ethyl 5-(2-oxohexadecanoylamino)pentanoate
CID 44563074
Tert-butyl 4-oxo-5-(3,3,3-trifluoropropanoylamino)pentanoate
CID 54762071
Methyl 5-(acetylamino)-4-oxopentanoate
CID 575273
Propyl 4-oxo-5-propionamidopentanoate
CID 155884508
Hexyl 4-oxo-5-propionamidopentanoate
CID 155884525
Butyl 5-acetamidopentanoate
CID 168477885

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-4-oxopentanoate?
The IUPAC name of ethyl 5-acetamido-4-oxopentanoate (CID 10307939) is ethyl 5-acetamido-4-oxopentanoate.
What is the SMILES notation for ethyl 5-acetamido-4-oxopentanoate?
The canonical SMILES for ethyl 5-acetamido-4-oxopentanoate is CCOC(=O)CCC(=O)CNC(C)=O.
What is the InChIKey of ethyl 5-acetamido-4-oxopentanoate?
The InChIKey is GSLSIIPKQVGUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-14-9(13)5-4-8(12)6-10-7(2)11/h3-6H2,1-2H3,(H,10,11).
What are the key properties of ethyl 5-acetamido-4-oxopentanoate?
ethyl 5-acetamido-4-oxopentanoate has a molecular weight of 201.22 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-4-oxopentanoate is sourced from PubChem (CID 10307939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).